 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Chair_STD_M11-def2SVPDr.in
 Output=27_methylindane_Chair_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/27_methylindane_Chair_STD/Gau-97959.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/27_methylindane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     97960.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=27_methylindane_Chair_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 15:59:26 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Chair_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.295974000000     -1.028853000000     -0.128687000000
  C                                                -2.606029000000      0.291875000000      0.183416000000
  C                                                -0.973478000000     -1.409110000000     -0.342457000000
  C                                                 0.029531000000     -0.455263000000     -0.247794000000
  C                                                -0.281499000000      0.868664000000      0.064239000000
  C                                                -1.598106000000      1.247679000000      0.283733000000
  C                                                 1.523670000000     -0.639314000000     -0.396640000000
  C                                                 2.019669000000      0.816964000000     -0.580832000000
  C                                                 0.972315000000      1.705463000000      0.125740000000
  H                                                -3.088043000000     -1.762337000000     -0.209833000000
  H                                                -3.637708000000      0.578196000000      0.343549000000
  H                                                -0.735344000000     -2.437795000000     -0.586593000000
  H                                                -1.844116000000      2.275439000000      0.523140000000
  H                                                 1.760590000000     -1.243210000000     -1.276257000000
  C                                                 2.130571000000     -1.320158000000      0.835970000000
  H                                                 2.034988000000      1.060247000000     -1.645001000000
  H                                                 3.029412000000      0.962676000000     -0.195614000000
  H                                                 0.857874000000      2.679448000000     -0.352616000000
  H                                                 1.250132000000      1.896413000000      1.167459000000
  H                                                 1.938821000000     -0.733184000000      1.737056000000
  H                                                 3.211182000000     -1.433117000000      0.725825000000
  H                                                 1.698191000000     -2.310454000000      0.988755000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 15:59:26 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392072   0.000000
     3  C    1.392583   2.415598   0.000000
     4  C    2.398159   2.773145   1.387376   0.000000
     5  C    2.774149   2.397984   2.415055   1.395309   0.000000
     6  C    2.416549   1.392671   2.800143   2.414898   1.387546
     7  C    3.848795   4.272937   2.613670   1.512773   2.396882
     8  C    4.715533   4.717719   3.737801   2.385398   2.390432
     9  C    4.268832   3.847870   3.702146   2.386861   1.508663
    10  H    1.082570   2.146339   2.147963   3.380703   3.856679
    11  H    2.146128   1.082582   3.393834   3.855693   3.380314
    12  H    2.151827   3.397569   1.083745   2.151802   3.400328
    13  H    3.398147   2.151848   3.883706   3.400239   2.152064
    14  H    4.221206   4.853297   2.893896   2.162212   3.229097
    15  C    4.539793   5.045776   3.321404   2.517331   3.347326
    16  H    5.041902   5.047033   4.104292   2.875903   2.885189
    17  H    5.685983   5.687867   4.655111   3.318518   3.322423
    18  H    4.873233   4.241045   4.479984   3.244003   2.179651
    19  H    4.776195   4.291021   4.260372   3.003862   2.149245
    20  H    4.637015   4.911233   3.641804   2.768078   3.208435
    21  H    5.587700   6.091777   4.318933   3.468002   4.234939
    22  H    4.341029   5.093819   3.118070   2.784818   3.857550
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.710679   0.000000
     8  C    3.744501   1.549415   0.000000
     9  C    2.615644   2.464722   1.544547   0.000000
    10  H    3.394660   4.750155   5.734035   5.350211   0.000000
    11  H    2.147501   5.354441   5.737369   4.750840   2.467075
    12  H    3.883883   2.893745   4.264222   4.537632   2.476567
    13  H    1.083572   4.547941   4.274896   2.900876   4.288151
    14  H    4.463063   1.092954   2.189761   3.358816   4.991592
    15  C    4.560897   1.533364   2.566499   3.316680   5.340708
    16  H    4.117586   2.169875   1.091731   2.163585   6.022635
    17  H    4.661000   2.207723   1.090507   2.210577   6.696951
    18  H    2.913201   3.385174   2.206966   1.091132   5.943072
    19  H    3.051932   2.991846   2.194064   1.094908   5.839790
    20  H    4.306486   2.175734   2.789642   3.078550   5.488068
    21  H    5.523709   2.176637   2.861804   3.901706   6.376839
    22  H    4.901320   2.177725   3.513929   4.171244   4.964381
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.287783   0.000000
    13  H    2.475855   4.967440   0.000000
    14  H    5.923083   2.851729   5.349077   0.000000
    15  C    6.092558   3.389140   5.368828   2.145766   0.000000
    16  H    6.030438   4.585986   4.607057   2.348868   3.439576
    17  H    6.699926   5.088168   5.098159   2.764712   2.661468
    18  H    5.011004   5.364631   2.868958   4.129801   4.362263
    19  H    5.129084   5.079781   3.183265   4.011178   3.351326
    20  H    5.895698   3.931438   4.983575   3.061364   1.092366
    21  H    7.148343   4.278655   6.272998   2.479640   1.092068
    22  H    6.101836   2.901729   5.813360   2.504632   1.091321
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760432   0.000000
    18  H    2.382786   2.772640   0.000000
    19  H    3.037286   2.428100   1.754320   0.000000
    20  H    3.829354   2.792945   4.145025   2.777321   0.000000
    21  H    3.636085   2.573308   4.859453   3.889284   1.769575
    22  H    4.290889   3.726695   5.234934   4.234433   1.762282
                   21         22
    21  H    0.000000
    22  H    1.768614   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4876774           1.1963393           0.8919853
 Leave Link  202 at Fri Jul 23 15:59:26 2021, MaxMem= 10737418240 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   316 symmetry adapted cartesian basis functions of A   symmetry.
 There are   296 symmetry adapted basis functions of A   symmetry.
   296 basis functions,   440 primitive gaussians,   316 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       505.9870942501 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 15:59:27 2021, MaxMem= 10737418240 cpu:               9.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   296 RedAO= T EigKep=  4.80D-06  NBF=   296
 NBsUse=   296 1.00D-06 EigRej= -1.00D+00 NBFU=   296
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   316   316   316   316   316 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Fri Jul 23 15:59:27 2021, MaxMem= 10737418240 cpu:               4.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 15:59:28 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Chair_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 15:59:28 2021, MaxMem= 10737418240 cpu:               4.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737210298 LenY= 10737110001
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -387.743497784721    
 DIIS: error= 3.89D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -387.743497784721     IErMin= 1 ErrMin= 3.89D-03
 ErrMax= 3.89D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-02 BMatP= 1.21D-02
 IDIUse=3 WtCom= 9.61D-01 WtEn= 3.89D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 GapD=    0.393 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.20D-02 MaxDP=5.69D-01              OVMax= 1.85D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.02D-02    CP:  1.22D+00
 E= -387.757180115970     Delta-E=       -0.013682331249 Rises=F Damp=F
 DIIS: error= 5.41D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -387.757180115970     IErMin= 2 ErrMin= 5.41D-04
 ErrMax= 5.41D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-04 BMatP= 1.21D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.41D-03
 Coeff-Com: -0.103D+00 0.110D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.102D+00 0.110D+01
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=2.85D-03 MaxDP=1.04D-01 DE=-1.37D-02 OVMax= 4.15D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.35D-03    CP:  1.30D+00  1.15D+00
 E= -387.757682822065     Delta-E=       -0.000502706095 Rises=F Damp=F
 DIIS: error= 2.34D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -387.757682822065     IErMin= 3 ErrMin= 2.34D-04
 ErrMax= 2.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-05 BMatP= 2.68D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.34D-03
 Coeff-Com: -0.219D-01 0.788D-01 0.943D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.218D-01 0.786D-01 0.943D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.76D-04 MaxDP=5.98D-03 DE=-5.03D-04 OVMax= 1.11D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.40D-04    CP:  1.30D+00  1.16D+00  1.04D+00
 E= -387.757701208673     Delta-E=       -0.000018386608 Rises=F Damp=F
 DIIS: error= 5.22D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -387.757701208673     IErMin= 4 ErrMin= 5.22D-05
 ErrMax= 5.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-06 BMatP= 1.56D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-02-0.386D-01 0.275D+00 0.765D+00
 Coeff:     -0.110D-02-0.386D-01 0.275D+00 0.765D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=4.40D-05 MaxDP=1.32D-03 DE=-1.84D-05 OVMax= 7.33D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.51D-05    CP:  1.30D+00  1.16D+00  1.05D+00  1.06D+00
 E= -387.757704289455     Delta-E=       -0.000003080782 Rises=F Damp=F
 DIIS: error= 2.89D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -387.757704289455     IErMin= 5 ErrMin= 2.89D-05
 ErrMax= 2.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-07 BMatP= 3.09D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.180D-02-0.233D-01 0.111D-01 0.318D+00 0.692D+00
 Coeff:      0.180D-02-0.233D-01 0.111D-01 0.318D+00 0.692D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.61D-05 MaxDP=5.45D-04 DE=-3.08D-06 OVMax= 2.55D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.13D-05    CP:  1.30D+00  1.16D+00  1.05D+00  1.12D+00  8.77D-01
 E= -387.757704895586     Delta-E=       -0.000000606131 Rises=F Damp=F
 DIIS: error= 5.03D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -387.757704895586     IErMin= 6 ErrMin= 5.03D-06
 ErrMax= 5.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-08 BMatP= 5.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.641D-03-0.541D-02-0.145D-01 0.533D-01 0.217D+00 0.749D+00
 Coeff:      0.641D-03-0.541D-02-0.145D-01 0.533D-01 0.217D+00 0.749D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.18D-06 MaxDP=1.63D-04 DE=-6.06D-07 OVMax= 7.65D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.43D-06    CP:  1.30D+00  1.16D+00  1.05D+00  1.13D+00  9.55D-01
                    CP:  1.02D+00
 E= -387.757704928922     Delta-E=       -0.000000033336 Rises=F Damp=F
 DIIS: error= 1.55D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -387.757704928922     IErMin= 7 ErrMin= 1.55D-06
 ErrMax= 1.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-09 BMatP= 2.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-03 0.205D-02-0.405D-02-0.294D-01-0.527D-01 0.128D+00
 Coeff-Com:  0.956D+00
 Coeff:     -0.114D-03 0.205D-02-0.405D-02-0.294D-01-0.527D-01 0.128D+00
 Coeff:      0.956D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.84D-06 MaxDP=6.68D-05 DE=-3.33D-08 OVMax= 2.41D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.30D-06    CP:  1.30D+00  1.16D+00  1.05D+00  1.14D+00  9.65D-01
                    CP:  1.09D+00  1.17D+00
 E= -387.757704932816     Delta-E=       -0.000000003894 Rises=F Damp=F
 DIIS: error= 5.75D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -387.757704932816     IErMin= 8 ErrMin= 5.75D-07
 ErrMax= 5.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-10 BMatP= 1.93D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.725D-04 0.940D-03-0.405D-03-0.112D-01-0.295D-01-0.866D-02
 Coeff-Com:  0.261D+00 0.788D+00
 Coeff:     -0.725D-04 0.940D-03-0.405D-03-0.112D-01-0.295D-01-0.866D-02
 Coeff:      0.261D+00 0.788D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.15D-07 MaxDP=2.78D-05 DE=-3.89D-09 OVMax= 1.11D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.02D-07    CP:  1.30D+00  1.16D+00  1.05D+00  1.14D+00  9.66D-01
                    CP:  1.10D+00  1.22D+00  1.18D+00
 E= -387.757704933170     Delta-E=       -0.000000000354 Rises=F Damp=F
 DIIS: error= 2.72D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -387.757704933170     IErMin= 9 ErrMin= 2.72D-07
 ErrMax= 2.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-11 BMatP= 1.97D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.543D-05-0.163D-03 0.454D-03 0.287D-02 0.263D-02-0.189D-01
 Coeff-Com: -0.108D+00 0.126D+00 0.995D+00
 Coeff:      0.543D-05-0.163D-03 0.454D-03 0.287D-02 0.263D-02-0.189D-01
 Coeff:     -0.108D+00 0.126D+00 0.995D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.91D-07 MaxDP=1.12D-05 DE=-3.54D-10 OVMax= 7.04D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.37D-07    CP:  1.30D+00  1.16D+00  1.05D+00  1.14D+00  9.66D-01
                    CP:  1.10D+00  1.24D+00  1.29D+00  1.16D+00
 E= -387.757704933301     Delta-E=       -0.000000000132 Rises=F Damp=F
 DIIS: error= 1.35D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -387.757704933301     IErMin=10 ErrMin= 1.35D-07
 ErrMax= 1.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.67D-12 BMatP= 2.81D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.981D-05-0.144D-03 0.130D-03 0.201D-02 0.426D-02-0.122D-02
 Coeff-Com: -0.529D-01-0.822D-01 0.166D+00 0.964D+00
 Coeff:      0.981D-05-0.144D-03 0.130D-03 0.201D-02 0.426D-02-0.122D-02
 Coeff:     -0.529D-01-0.822D-01 0.166D+00 0.964D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=8.84D-08 MaxDP=2.20D-06 DE=-1.32D-10 OVMax= 3.53D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.94D-08    CP:  1.30D+00  1.16D+00  1.05D+00  1.14D+00  9.65D-01
                    CP:  1.10D+00  1.24D+00  1.32D+00  1.23D+00  1.19D+00
 E= -387.757704933319     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 5.27D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -387.757704933319     IErMin=11 ErrMin= 5.27D-08
 ErrMax= 5.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.56D-13 BMatP= 4.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.711D-06 0.849D-05-0.742D-04-0.286D-03 0.105D-03 0.398D-02
 Coeff-Com:  0.147D-01-0.405D-01-0.192D+00 0.107D+00 0.111D+01
 Coeff:      0.711D-06 0.849D-05-0.742D-04-0.286D-03 0.105D-03 0.398D-02
 Coeff:      0.147D-01-0.405D-01-0.192D+00 0.107D+00 0.111D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.80D-08 MaxDP=1.59D-06 DE=-1.73D-11 OVMax= 2.11D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.37D-08    CP:  1.30D+00  1.16D+00  1.05D+00  1.14D+00  9.65D-01
                    CP:  1.10D+00  1.24D+00  1.32D+00  1.25D+00  1.33D+00
                    CP:  1.48D+00
 E= -387.757704933356     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 2.23D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -387.757704933356     IErMin=12 ErrMin= 2.23D-08
 ErrMax= 2.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-13 BMatP= 8.56D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-05 0.230D-04-0.373D-04-0.377D-03-0.603D-03 0.125D-02
 Coeff-Com:  0.120D-01 0.376D-03-0.773D-01-0.113D+00 0.332D+00 0.845D+00
 Coeff:     -0.122D-05 0.230D-04-0.373D-04-0.377D-03-0.603D-03 0.125D-02
 Coeff:      0.120D-01 0.376D-03-0.773D-01-0.113D+00 0.332D+00 0.845D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.35D-08 MaxDP=6.88D-07 DE=-3.71D-11 OVMax= 5.53D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.97D-09    CP:  1.30D+00  1.16D+00  1.05D+00  1.14D+00  9.65D-01
                    CP:  1.10D+00  1.24D+00  1.31D+00  1.24D+00  1.35D+00
                    CP:  1.63D+00  1.14D+00
 E= -387.757704933324     Delta-E=        0.000000000032 Rises=F Damp=F
 DIIS: error= 6.47D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -387.757704933356     IErMin=13 ErrMin= 6.47D-09
 ErrMax= 6.47D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-14 BMatP= 1.40D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.425D-06 0.598D-05-0.293D-05-0.802D-04-0.186D-03-0.114D-03
 Coeff-Com:  0.197D-02 0.477D-02-0.962D-03-0.490D-01-0.277D-01 0.284D+00
 Coeff-Com:  0.787D+00
 Coeff:     -0.425D-06 0.598D-05-0.293D-05-0.802D-04-0.186D-03-0.114D-03
 Coeff:      0.197D-02 0.477D-02-0.962D-03-0.490D-01-0.277D-01 0.284D+00
 Coeff:      0.787D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=4.82D-09 MaxDP=1.11D-07 DE= 3.22D-11 OVMax= 1.57D-07

 SCF Done:  E(RM11) =  -387.757704933     A.U. after   13 cycles
            NFock= 13  Conv=0.48D-08     -V/T= 2.0127
 KE= 3.829039269518D+02 PE=-1.907725795906D+03 EE= 6.310770697709D+02
 Leave Link  502 at Fri Jul 23 16:00:38 2021, MaxMem= 10737418240 cpu:            1121.2 elap:              70.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   296
 NBasis=   296 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    296 NOA=    36 NOB=    36 NVA=   260 NVB=   260

 **** Warning!!: The largest alpha MO coefficient is  0.79850860D+02

 Leave Link  801 at Fri Jul 23 16:00:39 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6641 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.56D-13 8.33D-09 XBig12= 1.00D+00 3.63D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.56D-13 8.33D-09 XBig12= 1.75D-01 6.32D-02.
     11 vectors produced by pass  2 Test12= 1.56D-13 8.33D-09 XBig12= 2.78D-02 5.90D-02.
     11 vectors produced by pass  3 Test12= 1.56D-13 8.33D-09 XBig12= 2.59D-03 1.45D-02.
     11 vectors produced by pass  4 Test12= 1.56D-13 8.33D-09 XBig12= 2.80D-04 3.50D-03.
     11 vectors produced by pass  5 Test12= 1.56D-13 8.33D-09 XBig12= 1.66D-05 6.57D-04.
     11 vectors produced by pass  6 Test12= 1.56D-13 8.33D-09 XBig12= 4.68D-07 1.27D-04.
     11 vectors produced by pass  7 Test12= 1.56D-13 8.33D-09 XBig12= 1.35D-08 2.67D-05.
     11 vectors produced by pass  8 Test12= 1.56D-13 8.33D-09 XBig12= 3.88D-10 3.24D-06.
     11 vectors produced by pass  9 Test12= 1.56D-13 8.33D-09 XBig12= 9.78D-12 5.94D-07.
      7 vectors produced by pass 10 Test12= 1.56D-13 8.33D-09 XBig12= 2.05D-13 6.37D-08.
      1 vectors produced by pass 11 Test12= 1.56D-13 8.33D-09 XBig12= 2.64D-15 8.62D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.143333D+03
      2  0.157174D+01  0.122258D+03
      3 -0.240880D+01  0.523865D+01  0.821809D+02
 Isotropic polarizability for W=    0.085645      115.92 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.784594D+02 -0.123991D+02  0.912396D+01
      2   0.348545D+02  0.433452D+01 -0.592700D+01
      3   0.436048D+02  0.806457D+01 -0.319696D+01
      4  -0.211012D+02 -0.357171D+02 -0.302551D+02
      5   0.211453D+02 -0.307325D+02  0.395465D+02
      6  -0.133379D+02  0.589904D+01 -0.102419D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.249383D+01 -0.181477D+01  0.202937D+01
      2   0.960339D+01 -0.142170D+02  0.146409D+02
      3   0.148859D+01  0.315015D+02  0.118401D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.477437D+00  0.118260D+02  0.908877D+01
      2  -0.120213D+02 -0.169172D+02 -0.405834D+01
      3  -0.870211D+01  0.705716D+02  0.173946D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.130782D+01 -0.197157D+01 -0.831160D+00
      2  -0.197157D+01  0.293767D+01 -0.322145D+01
      3  -0.831160D+00 -0.322145D+01 -0.151294D+01
 OR G Eigenvalues:    -4.2146    -0.6089     4.9404  Iso=    -0.0390
 Eigenvectors:
   (1)   0.520555   0.465801   0.715578
   (2)   0.823954  -0.054299  -0.564049
   (3)  -0.223879   0.883222  -0.412064
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0390 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =      -13.98 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   43956 ScalPx= 7.36D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.37D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.60D-14 2.78D-09 XBig12= 1.00D+00 3.19D-01.
     30 vectors produced by pass  1 Test12= 2.60D-14 2.78D-09 XBig12= 4.38D-02 4.77D-02.
     30 vectors produced by pass  2 Test12= 2.60D-14 2.78D-09 XBig12= 1.68D-03 6.38D-03.
     30 vectors produced by pass  3 Test12= 2.60D-14 2.78D-09 XBig12= 3.09D-05 8.91D-04.
     30 vectors produced by pass  4 Test12= 2.60D-14 2.78D-09 XBig12= 5.72D-07 7.25D-05.
     30 vectors produced by pass  5 Test12= 2.60D-14 2.78D-09 XBig12= 1.03D-08 9.24D-06.
     30 vectors produced by pass  6 Test12= 2.60D-14 2.78D-09 XBig12= 1.19D-10 1.01D-06.
     30 vectors produced by pass  7 Test12= 2.60D-14 2.78D-09 XBig12= 1.14D-12 1.11D-07.
     16 vectors produced by pass  8 Test12= 2.60D-14 2.78D-09 XBig12= 1.16D-14 9.55D-09.
      3 vectors produced by pass  9 Test12= 2.60D-14 2.78D-09 XBig12= 1.55D-15 5.19D-09.
      1 vectors produced by pass 10 Test12= 2.60D-14 2.78D-09 XBig12= 1.05D-15 4.71D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 1.25D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 1.25D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.07D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143333D+03  0.157174D+01 -0.240880D+01
      2   0.157174D+01  0.122258D+03  0.523865D+01
      3  -0.240880D+01  0.523865D+01  0.821809D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.249383D+01 -0.181477D+01  0.202937D+01
      2   0.960339D+01 -0.142170D+02  0.146409D+02
      3   0.148859D+01  0.315015D+02  0.118401D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.784594D+02 -0.123991D+02  0.912396D+01
      2   0.348545D+02  0.433452D+01 -0.592700D+01
      3   0.436048D+02  0.806457D+01 -0.319696D+01
      4  -0.211012D+02 -0.357171D+02 -0.302551D+02
      5   0.211453D+02 -0.307325D+02  0.395465D+02
      6  -0.133379D+02  0.589904D+01 -0.102419D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.118668D+01 -0.122300D+01 -0.597784D+00 -0.376506D+01  0.508683D+00
      2  -0.122300D+01 -0.200472D+01 -0.606812D+00  0.508683D+00 -0.204232D+01
      3  -0.597784D+00 -0.606812D+00 -0.189733D+01  0.104839D+01  0.841750D+00
                 6             7             8             9            10 
      1   0.104839D+01 -0.144866D+01  0.663721D+00 -0.360712D+01 -0.409105D+01
      2   0.841750D+00  0.663721D+00  0.116857D+01 -0.284070D+01  0.107141D+01
      3  -0.160662D+01 -0.360712D+01 -0.284070D+01 -0.537313D+00 -0.535152D+00
                11            12            13            14            15 
      1   0.107141D+01 -0.535152D+00  0.166329D+01  0.142179D+01  0.120148D+01
      2  -0.241832D+01 -0.264372D-01  0.142179D+01  0.186861D+01 -0.552923D+00
      3  -0.264372D-01 -0.219135D+01  0.120148D+01 -0.552923D+00  0.470424D+00
                16            17            18            19            20 
      1  -0.350770D-01  0.139003D+01 -0.464637D+01 -0.694382D+00  0.350135D+01
      2   0.139003D+01  0.295179D+00  0.101469D+01  0.350135D+01  0.856730D+00
      3  -0.464637D+01  0.101469D+01  0.130025D+01  0.513748D+00 -0.314178D+00
                21            22            23            24            25 
      1   0.513748D+00 -0.488123D+01  0.715259D+00 -0.979656D-01 -0.589080D+00
      2  -0.314178D+00  0.715259D+00 -0.171274D+01  0.106360D+01 -0.100192D+01
      3   0.457644D+00 -0.979656D-01  0.106360D+01 -0.159800D+01 -0.296840D+00
                26            27            28            29            30 
      1  -0.100192D+01 -0.296840D+00  0.125496D+02 -0.388774D+01 -0.310135D+00
      2   0.127814D+01 -0.332302D+01 -0.388774D+01  0.423772D+01  0.168378D+00
      3  -0.332302D+01 -0.263650D+01 -0.310135D+00  0.168378D+00  0.160911D+01
                31            32            33            34            35 
      1  -0.821734D+01 -0.183319D+01 -0.493900D+00 -0.214306D+01 -0.110503D+01
      2  -0.183319D+01 -0.500646D+00 -0.448994D-01 -0.110503D+01 -0.562678D+00
      3  -0.493900D+00 -0.448994D-01 -0.245066D+00  0.307750D+01 -0.149250D+01
                36            37            38            39            40 
      1   0.307750D+01  0.270406D+01  0.366874D+01  0.739911D+00  0.116404D+02
      2  -0.149250D+01  0.366874D+01  0.602098D+01  0.122450D+01  0.292992D+01
      3  -0.127889D+01  0.739911D+00  0.122450D+01  0.153804D+01  0.717312D-01
                41            42            43            44            45 
      1   0.292992D+01  0.717312D-01  0.276197D+01  0.204397D+00  0.209992D+01
      2   0.467160D+01 -0.378771D+00  0.204397D+00 -0.115208D+01  0.224818D+01
      3  -0.378771D+00  0.102492D+01  0.209992D+01  0.224818D+01  0.300791D+00
                46            47            48            49            50 
      1   0.121822D+01 -0.304467D+01 -0.365634D+00  0.453605D+01 -0.339307D+00
      2  -0.304467D+01 -0.246097D+01  0.513740D+00 -0.339307D+00  0.937933D+00
      3  -0.365634D+00  0.513740D+00  0.135303D-01  0.210546D+00 -0.862335D+00
                51            52            53            54            55 
      1   0.210546D+00  0.291151D+00  0.106272D+01 -0.170874D+01 -0.256909D+01
      2  -0.862335D+00  0.106272D+01 -0.867367D+00  0.324193D+01  0.255244D+01
      3   0.166176D+01 -0.170874D+01  0.324193D+01  0.237533D+01 -0.142767D+00
                56            57            58            59            60 
      1   0.255244D+01 -0.142767D+00  0.393722D+01 -0.414207D+01  0.510329D+00
      2  -0.300636D+01  0.642682D+00 -0.414207D+01 -0.189115D+01  0.177415D+01
      3   0.642682D+00 -0.214617D+01  0.510329D+00  0.177415D+01  0.335264D+01
                61            62            63            64            65 
      1  -0.197116D+01  0.102326D+01 -0.440572D+01 -0.599039D+01 -0.193092D+01
      2   0.102326D+01  0.879501D+00  0.434696D+01 -0.193092D+01  0.166552D+01
      3  -0.440572D+01  0.434696D+01  0.170654D+01 -0.233994D+01  0.176408D+00
                66            67            68            69            70 
      1  -0.233994D+01 -0.185044D+01  0.167122D+01  0.368918D+00 -0.365871D+01
      2   0.176408D+00  0.167122D+01  0.307688D+01 -0.139785D+01  0.111435D+00
      3   0.488874D+00  0.368918D+00 -0.139785D+01 -0.153499D+01 -0.397850D+00
                71            72            73            74            75 
      1   0.111435D+00 -0.397850D+00 -0.200836D+01 -0.226952D+00 -0.138033D+00
      2  -0.355801D+00 -0.219869D+01 -0.226952D+00 -0.177497D+01 -0.178887D+01
      3  -0.219869D+01  0.569801D+01 -0.138033D+00 -0.178887D+01 -0.169060D+01
                76            77            78            79            80 
      1  -0.526571D+00 -0.344424D+01 -0.131020D+01 -0.148765D+01 -0.252943D+01
      2  -0.344424D+01 -0.769740D+01  0.173354D+01 -0.252943D+01  0.175815D+01
      3  -0.131020D+01  0.173354D+01 -0.119440D+01 -0.331178D+01 -0.305919D+01
                81            82            83            84            85 
      1  -0.331178D+01 -0.734370D+01 -0.449800D+01 -0.394748D+00 -0.444289D+01
      2  -0.305919D+01 -0.449800D+01 -0.342786D+01 -0.220778D+00 -0.440849D+01
      3  -0.450015D+01 -0.394748D+00 -0.220778D+00 -0.743291D+00 -0.612809D+00
                86            87            88            89            90 
      1  -0.440849D+01 -0.612809D+00 -0.318253D+00 -0.480473D+00 -0.184463D+00
      2  -0.509585D+01 -0.541451D+00 -0.480473D+00 -0.774729D+00 -0.235999D+00
      3  -0.541451D+00 -0.738401D+00 -0.184463D+00 -0.235999D+00 -0.109898D+00
                91            92            93            94            95 
      1  -0.126076D+02  0.239506D+01  0.153808D+01  0.243667D+01 -0.209123D+01
      2   0.239506D+01 -0.122318D+01 -0.269198D+00 -0.209123D+01  0.107023D+01
      3   0.153808D+01 -0.269198D+00 -0.114910D+01 -0.652497D+00  0.337231D+00
                96            97            98            99           100 
      1  -0.652497D+00  0.170519D+01 -0.644884D+00 -0.386215D+00  0.544702D+00
      2   0.337231D+00 -0.644884D+00  0.298482D+00  0.151652D+00 -0.142078D+01
      3   0.354533D+00 -0.386215D+00  0.151652D+00  0.295866D+00 -0.344401D+00
               101           102           103           104           105 
      1  -0.142078D+01 -0.344401D+00 -0.989485D+00  0.739310D+00  0.124917D+00
      2   0.134742D+01  0.464420D+00  0.739310D+00 -0.988392D+01 -0.214734D+01
      3   0.464420D+00  0.298699D+00  0.124917D+00 -0.214734D+01 -0.144757D+01
               106           107           108           109           110 
      1  -0.355337D+00  0.445083D+00  0.202900D-01 -0.143091D+01  0.194741D+01
      2   0.445083D+00 -0.234476D+01 -0.695131D+00  0.194741D+01 -0.193938D+01
      3   0.202900D-01 -0.695131D+00 -0.492548D+00  0.514031D+00 -0.553668D+00
               111           112           113           114           115 
      1   0.514031D+00  0.174816D+01 -0.287573D+01 -0.627517D+00  0.475808D+00
      2  -0.553668D+00 -0.287573D+01  0.975339D+01  0.197804D+01 -0.820195D+00
      3  -0.394215D+00 -0.627517D+00  0.197804D+01  0.140986D+01 -0.300424D+00
               116           117           118           119           120 
      1  -0.820195D+00 -0.300424D+00  0.186761D+01 -0.143347D+01 -0.150820D+01
      2   0.209102D+01  0.659106D+00 -0.143347D+01  0.108611D+01  0.443203D+00
      3   0.659106D+00  0.465378D+00 -0.150820D+01  0.443203D+00  0.140453D+01
               121           122           123           124           125 
      1  -0.288634D+01  0.225826D+01  0.952546D+00 -0.235270D+01  0.118619D+01
      2   0.225826D+01 -0.316871D+01 -0.233366D+01  0.118619D+01 -0.237457D+01
      3   0.952546D+00 -0.233366D+01 -0.286646D+01  0.259336D+01 -0.295679D+01
               126           127           128           129           130 
      1   0.259336D+01 -0.824375D+01  0.172558D+01  0.738151D+00 -0.122026D+01
      2  -0.295679D+01  0.172558D+01  0.270033D+01 -0.113997D+01  0.302205D+01
      3  -0.554132D+01  0.738151D+00 -0.113997D+01  0.209073D+01 -0.136497D+01
               131           132           133           134           135 
      1   0.302205D+01 -0.136497D+01  0.493194D+01 -0.232314D+01  0.304590D+01
      2   0.354516D+01 -0.142319D+01 -0.232314D+01 -0.327959D+00 -0.358864D+01
      3  -0.142319D+01 -0.314282D+01  0.304590D+01 -0.358864D+01 -0.162454D+01
               136           137           138           139           140 
      1   0.115280D+01  0.620835D+00 -0.108879D+01  0.560767D+00  0.349182D+00
      2   0.620835D+00 -0.166144D+00 -0.229924D+00  0.349182D+00  0.873434D+00
      3  -0.108879D+01 -0.229924D+00  0.250976D+00 -0.510215D+00 -0.138469D+01
               141           142           143           144           145 
      1  -0.510215D+00 -0.147026D+01 -0.614208D+00  0.222217D+01  0.108902D+02
      2  -0.138469D+01 -0.614208D+00 -0.182723D+01  0.243805D+01  0.203560D+01
      3   0.166293D+01  0.222217D+01  0.243805D+01 -0.873754D+01  0.961328D+00
               146           147           148           149           150 
      1   0.203560D+01  0.961328D+00  0.141706D+01  0.146895D+01  0.479205D-01
      2   0.137087D+01 -0.245948D-01  0.146895D+01  0.523038D+00  0.365793D+00
      3  -0.245948D-01  0.112298D+01  0.479205D-01  0.365793D+00  0.315055D+00
               151           152           153           154           155 
      1   0.294035D+01  0.474583D+00  0.160341D+01 -0.974341D-01  0.102551D+01
      2   0.474583D+00  0.697005D+00  0.531396D+00  0.102551D+01 -0.715494D+00
      3   0.160341D+01  0.531396D+00  0.102314D+00 -0.434772D+00  0.221715D+00
               156           157           158           159           160 
      1  -0.434772D+00  0.181818D+01  0.176895D+01 -0.170445D+00 -0.515069D+00
      2   0.221715D+00  0.176895D+01  0.107458D+02 -0.198047D+01 -0.139550D+00
      3   0.103524D+00 -0.170445D+00 -0.198047D+01  0.134079D+01  0.725387D+00
               161           162           163           164           165 
      1  -0.139550D+00  0.725387D+00  0.223516D+01  0.997098D+00  0.160688D+01
      2  -0.324365D+01  0.226240D+01  0.997098D+00  0.835034D+00  0.832825D+00
      3   0.226240D+01 -0.795333D+00  0.160688D+01  0.832825D+00  0.146887D+01
               166           167           168           169           170 
      1   0.629761D+00  0.163746D+01  0.729302D+00  0.377164D+01  0.236253D+01
      2   0.163746D+01  0.280899D+01  0.160196D+01  0.236253D+01  0.304809D+01
      3   0.729302D+00  0.160196D+01  0.122877D+01  0.282092D+01  0.333017D+01
               171           172           173           174           175 
      1   0.282092D+01  0.501090D+00  0.310371D+00  0.699441D+00  0.109779D+01
      2   0.333017D+01  0.310371D+00 -0.645085D+00  0.117241D+00 -0.503967D+00
      3   0.690456D+01  0.699441D+00  0.117241D+00 -0.937764D+00  0.479820D+00
               176           177           178           179           180 
      1  -0.503967D+00  0.479820D+00  0.961587D+00  0.482619D-01  0.366568D+00
      2   0.121154D+01  0.118328D+01  0.482619D-01  0.145274D+01  0.119942D+01
      3   0.118328D+01  0.264818D+01  0.366568D+00  0.119942D+01  0.609857D+01
               181           182           183           184           185 
      1   0.128802D+02 -0.303173D+01  0.835929D+00 -0.127762D+01  0.145762D+01
      2  -0.303173D+01  0.167687D+01 -0.362034D+00  0.145762D+01 -0.127183D+01
      3   0.835929D+00 -0.362034D+00  0.124874D+01  0.974411D-01  0.209248D+00
               186           187           188           189           190 
      1   0.974411D-01 -0.115285D+01  0.426461D+00  0.103314D+01 -0.280286D+00
      2   0.209248D+00  0.426461D+00 -0.348548D+00  0.491260D-01 -0.115416D+01
      3   0.190064D+00  0.103314D+01  0.491260D-01 -0.879464D-03  0.528641D-01
               191           192           193           194           195 
      1  -0.115416D+01  0.528641D-01 -0.142811D+01 -0.310423D+00 -0.281994D-02
      2  -0.201512D+01  0.731358D+00 -0.310423D+00 -0.782207D+01  0.195898D+01
      3   0.731358D+00 -0.946437D+00 -0.281994D-02  0.195898D+01 -0.128561D+01
               196           197           198 
      1  -0.341766D+00  0.260157D+00 -0.363048D+00
      2   0.260157D+00  0.121249D+01 -0.108242D+01
      3  -0.363048D+00 -0.108242D+01  0.100731D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.173832D+01  0.660798D+00 -0.295302D+01  0.238878D+01 -0.694999D+00
      2   0.198510D+01  0.134428D+01  0.419005D+01 -0.225134D+01 -0.215355D+01
      3  -0.628794D+01 -0.941809D+01 -0.796555D+00  0.871495D+01 -0.330273D+01
                 6             7             8             9            10 
      1  -0.818622D+00 -0.693226D+01  0.508325D+01  0.197000D+01  0.518717D+00
      2   0.469814D+01 -0.932044D+00  0.982542D+01  0.261359D+01 -0.710755D+00
      3   0.928099D+00  0.225388D+01  0.250234D+01 -0.442944D+01  0.446169D+01
                11            12            13            14            15 
      1   0.553068D+00  0.130100D+01  0.264869D-01 -0.242572D+01  0.103164D+01
      2  -0.526397D-01  0.630720D+01 -0.376152D+01  0.312459D+00 -0.165683D+01
      3  -0.791040D+01 -0.446837D+00  0.101727D+02  0.388156D+01 -0.137506D+01
                16            17            18            19            20 
      1   0.383038D+01  0.103473D+02  0.202570D+01  0.946177D+00 -0.129207D+01
      2   0.630678D+01 -0.467948D+01 -0.324313D+01 -0.458497D+01  0.313757D+01
      3   0.371713D+01 -0.102060D+01  0.179328D+01  0.861731D+01 -0.734123D+01
                21            22            23            24            25 
      1   0.174915D+01 -0.553812D+00  0.824879D+00 -0.319088D+01  0.297425D+01
      2  -0.798233D+00  0.142487D+01  0.425104D+00  0.231420D+01 -0.128309D+02
      3  -0.374252D+01  0.615072D+01 -0.642933D+01  0.336630D+00 -0.341023D+01
                26            27            28            29            30 
      1   0.442664D+00 -0.100791D+01  0.364611D+00  0.574830D-01  0.169231D+01
      2   0.277723D+01  0.390631D+01  0.227986D+01 -0.325131D+01 -0.219999D+01
      3   0.192065D+01 -0.510670D+01 -0.479521D+01  0.112114D+02  0.167024D+01
                31            32            33            34            35 
      1   0.248501D+00 -0.313130D+01 -0.582587D+00  0.377661D+01  0.906174D+01
      2  -0.135382D+01  0.626372D+00  0.273176D+00 -0.138349D+02 -0.338409D+00
      3   0.107546D+02 -0.875726D+01  0.119097D+01 -0.621899D+00 -0.181942D+01
                36            37            38            39            40 
      1   0.613737D+00 -0.187962D+01 -0.334262D+00 -0.137571D+01  0.771323D+00
      2   0.328009D+00 -0.554563D+00  0.299686D+00 -0.148617D+01  0.329151D+01
      3  -0.217849D+01 -0.233361D+01  0.811880D+01  0.208621D+01  0.120300D+02
                41            42            43            44            45 
      1  -0.494139D+00 -0.481607D+00 -0.415038D+01  0.747138D+01  0.169313D+01
      2  -0.251091D+01 -0.154055D+01 -0.134068D+02 -0.131939D+01  0.946062D+00
      3   0.168071D+02  0.125751D+01 -0.610337D+00  0.296571D+01  0.440932D+01
                46            47            48            49            50 
      1   0.795663D+00 -0.135143D+01 -0.306044D+00 -0.615947D+00 -0.143489D+00
      2   0.578113D+00  0.185900D+01  0.609331D-01  0.202585D+01  0.228508D+01
      3  -0.434187D+01 -0.147612D+02 -0.197761D+01  0.127582D+01  0.279102D+01
                51            52            53            54            55 
      1  -0.268027D+01  0.297872D+01  0.938725D+00 -0.828126D+00 -0.185209D+01
      2  -0.438897D+01 -0.102562D+02 -0.782538D+01 -0.381616D+01 -0.123154D+00
      3  -0.161972D+01 -0.181349D+01 -0.201815D+01  0.508709D+01 -0.113341D+01
                56            57            58            59            60 
      1   0.806901D+00 -0.236538D+01  0.390972D+00  0.460929D+01 -0.302699D+00
      2   0.249873D+01 -0.438702D+00  0.333582D+01  0.745667D+00  0.640134D+01
      3  -0.334254D+01  0.846846D+00  0.106224D+02  0.120430D+02 -0.537440D+01
                61            62            63            64            65 
      1  -0.588214D+01  0.755582D+01  0.368369D+00  0.428585D+01 -0.221870D+01
      2  -0.145033D+02  0.932856D+01  0.129892D+01 -0.122237D+02 -0.713656D+00
      3   0.219868D+01 -0.542830D+01 -0.457167D+01  0.378693D+00 -0.116057D+02
                66            67            68            69            70 
      1  -0.580211D+00 -0.108309D+01 -0.233068D+01  0.100472D+01  0.855498D+00
      2   0.161017D+01  0.437303D+00 -0.685636D+00 -0.408195D+01 -0.875842D+01
      3  -0.367575D+01 -0.690544D+01 -0.782303D+01  0.532171D+01 -0.651351D+01
                71            72            73            74            75 
      1   0.555535D+01 -0.445650D+01  0.100237D+01  0.487788D+01  0.341572D+01
      2  -0.660922D+01  0.127973D+02  0.690017D+00 -0.152785D+01  0.234410D+00
      3   0.354147D+01  0.515157D+01 -0.465942D+01 -0.294424D+01  0.166248D+01
                76            77            78            79            80 
      1   0.226060D+01 -0.827999D+01  0.418910D+00  0.984997D+01  0.126529D+02
      2  -0.182448D+01  0.272109D+01 -0.757085D-01 -0.797526D+01 -0.248420D+01
      3   0.117749D+02  0.436357D+00 -0.760912D+01  0.310951D+00 -0.121659D+02
                81            82            83            84            85 
      1   0.968887D+01  0.199654D+00  0.499176D+00 -0.241076D+01 -0.349355D+00
      2  -0.355804D+01 -0.394293D+00 -0.383641D+00  0.377452D+01  0.840950D+00
      3  -0.549160D+01 -0.186564D+01 -0.534080D+01  0.754645D-01 -0.418274D+01
                86            87            88            89            90 
      1   0.667176D-02 -0.258998D+01  0.102929D+01  0.119491D+01 -0.898050D-01
      2   0.788996D+00  0.332909D+01 -0.112626D+01 -0.618123D+00  0.901804D-01
      3  -0.912268D+01 -0.665850D+00 -0.884818D+00 -0.133470D+01 -0.930659D-01
                91            92            93            94            95 
      1  -0.143624D+00 -0.560751D+00  0.119077D+01 -0.230013D-01  0.175560D+00
      2  -0.173568D+01  0.250994D+00  0.618864D+01  0.172240D+01 -0.776739D+00
      3   0.198832D+01 -0.538292D+01 -0.170672D+00 -0.417005D+01  0.302312D+01
                96            97            98            99           100 
      1  -0.615486D+00 -0.772574D+00  0.614903D+00 -0.111497D+00  0.148096D+00
      2  -0.180062D+01 -0.169014D+01  0.291651D+00 -0.724536D+00  0.788955D+00
      3   0.747998D+00 -0.201048D+01  0.147624D+01  0.279907D+00 -0.395460D+01
               101           102           103           104           105 
      1   0.309556D+00  0.108579D+01 -0.285558D+00  0.877080D+00 -0.463703D+01
      2  -0.954695D+00 -0.149955D+00 -0.118570D+01  0.238845D+01  0.873821D+00
      3   0.413331D+01  0.114576D+01  0.609068D+01 -0.127110D+02 -0.284450D+01
               106           107           108           109           110 
      1  -0.336259D+00  0.214888D+01 -0.799921D+00 -0.270992D+00  0.417545D+00
      2  -0.132828D+01  0.879348D+00  0.251220D+00 -0.459433D+00  0.532109D+00
      3   0.159222D+01 -0.363017D+01 -0.606542D+00  0.101435D+01 -0.951545D+00
               111           112           113           114           115 
      1   0.112625D+01  0.930363D-01  0.689529D+00 -0.456388D+01 -0.327993D+00
      2   0.980899D+00  0.136990D+00 -0.310424D+01 -0.299564D+01 -0.717549D+00
      3  -0.336551D+00  0.519998D+00  0.147334D+02  0.288381D+01 -0.195708D+00
               116           117           118           119           120 
      1   0.190330D+01 -0.767090D+00 -0.774459D+00 -0.552127D+00  0.134777D+01
      2  -0.300031D+00 -0.630344D+00 -0.119840D+01  0.226918D+00  0.258576D+01
      3   0.298835D+01  0.390649D+00  0.167382D+01 -0.299058D+01  0.347934D+00
               121           122           123           124           125 
      1   0.142896D+00  0.562733D+00 -0.253245D+01  0.201745D+01  0.815952D+00
      2  -0.271896D+00 -0.287396D+01 -0.503150D+01  0.127537D+01 -0.424967D+01
      3   0.483896D+00  0.377770D+01  0.412336D+01  0.873149D+00  0.473916D+01
               126           127           128           129           130 
      1  -0.381470D+01  0.310900D+01  0.200820D+01  0.278090D+01 -0.167949D+01
      2  -0.837646D+01  0.114599D+02 -0.636937D+01  0.803168D+01 -0.593690D+01
      3   0.405506D+01  0.922700D+01 -0.137535D+02  0.157573D+01 -0.497925D+01
               131           132           133           134           135 
      1   0.402682D+01 -0.113165D+02  0.275600D+01 -0.594892D+01 -0.642452D+01
      2  -0.570969D+01 -0.726237D+01  0.493226D+01 -0.779753D+01 -0.615769D+01
      3  -0.172813D+02  0.706693D+01 -0.161853D+00  0.718375D+01  0.481496D+01
               136           137           138           139           140 
      1   0.215974D+00  0.689206D+00 -0.609792D-01  0.684785D+00  0.730189D-01
      2  -0.988328D+00 -0.129780D+00  0.761882D+00 -0.433140D+00 -0.286907D+01
      3  -0.757499D+00  0.847413D+00 -0.366231D+00  0.269072D+01 -0.133461D+01
               141           142           143           144           145 
      1  -0.109067D+01 -0.140524D+01  0.195328D+01  0.671337D+01 -0.238886D+01
      2   0.342790D+01  0.102090D+01  0.461327D+01 -0.183341D+02  0.916625D+01
      3   0.283850D+01 -0.693277D+00  0.470351D+01 -0.271460D+01  0.686231D+01
               146           147           148           149           150 
      1  -0.774301D+00 -0.150669D+01 -0.846148D+00 -0.518138D+00 -0.138156D+01
      2   0.125897D+01  0.603184D+01  0.110725D+01  0.182308D+01  0.105953D+01
      3  -0.500622D+01  0.114011D+01 -0.116880D+01  0.409594D+00 -0.146778D+01
               151           152           153           154           155 
      1  -0.174982D+01 -0.625182D-01 -0.855602D+00  0.676425D+00 -0.914346D+00
      2   0.458640D+01  0.147695D+01  0.193151D+01  0.806892D-01  0.586160D+00
      3   0.225909D+01 -0.273325D+01  0.311643D+00 -0.170756D+01  0.798558D+00
               156           157           158           159           160 
      1  -0.674032D-02  0.159190D+01  0.599389D+01 -0.565358D+01 -0.186991D+01
      2   0.111726D+01 -0.276737D+00 -0.221843D+01  0.129628D+01  0.107122D+00
      3  -0.161361D+01  0.458828D+01 -0.932116D+01  0.235788D+01 -0.229632D+01
               161           162           163           164           165 
      1  -0.449509D+01  0.253844D+01 -0.332013D+01 -0.952254D+00 -0.334862D+01
      2   0.166598D+01 -0.913032D+00 -0.438767D+00  0.625511D+00  0.226981D+01
      3   0.458121D+01 -0.105758D+01  0.557305D+01 -0.257766D+00  0.245962D+01
               166           167           168           169           170 
      1  -0.113054D+01 -0.235442D+01 -0.296969D+01 -0.637654D+01 -0.458796D+01
      2   0.642812D+00  0.111066D+01  0.146436D+01  0.599455D+00  0.291263D+01
      3  -0.577850D+00 -0.140218D+00 -0.135981D+00  0.626921D+01  0.147132D+01
               171           172           173           174           175 
      1  -0.155097D+02  0.164342D+01 -0.154422D+01 -0.126732D+01 -0.797597D+00
      2   0.667080D+01  0.198691D+01 -0.334318D+00 -0.223966D+01 -0.109467D+01
      3   0.210824D+01 -0.126588D+01  0.897643D+00 -0.932881D+00  0.131139D+01
               176           177           178           179           180 
      1   0.553840D+01  0.460023D+01 -0.219402D+00  0.669127D+01  0.105895D+02
      2   0.384608D+01  0.623675D+01 -0.302676D+01  0.375141D+01  0.142997D+02
      3  -0.313603D+01 -0.362582D+01 -0.723792D+00 -0.408665D+01 -0.372763D+01
               181           182           183           184           185 
      1  -0.956352D-01  0.101086D+01  0.229189D+01  0.106905D+01 -0.612546D+00
      2  -0.820729D+01  0.104622D+01  0.572365D+01  0.139445D+01 -0.191563D+00
      3  -0.133402D+02 -0.308508D+01 -0.100471D+00 -0.308638D+00  0.171317D+01
               186           187           188           189           190 
      1  -0.175878D+00  0.138419D+01  0.101292D+01  0.148668D+00 -0.144222D+01
      2   0.179366D+00  0.158408D+01  0.331810D+00 -0.677163D+00  0.139819D+01
      3  -0.558802D+00  0.312154D+00 -0.166496D+00 -0.196754D+01  0.585883D+01
               191           192           193           194           195 
      1  -0.139621D+01 -0.180008D+01 -0.109845D+01 -0.501167D+01 -0.256710D+01
      2   0.267035D+01 -0.146104D+01  0.203000D+01  0.602075D+01 -0.271983D+01
      3   0.695744D+01 -0.146743D+01  0.679325D+01  0.205315D+02 -0.498648D+01
               196           197           198 
      1  -0.642380D+00  0.777006D+00  0.932287D+00
      2  -0.170702D+01 -0.242101D+01  0.250721D+01
      3   0.149253D+00 -0.367006D+01  0.354315D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.468333D+01 -0.211375D+02 -0.314567D+01  0.258490D+02  0.139180D+01
      2  -0.251212D+00  0.149194D+02 -0.421445D+00 -0.256710D+02 -0.546225D+01
      3   0.493454D+01  0.621811D+01  0.356712D+01 -0.177921D+00  0.407045D+01
      4  -0.213887D+02  0.103003D+02  0.495043D+01  0.149012D+01 -0.172467D+02
      5   0.923617D+00  0.313756D+01  0.937028D+01 -0.597383D+01 -0.768412D+01
      6   0.287135D+01  0.301535D+01  0.650551D+01 -0.771686D+01 -0.419582D+01
                 6             7             8             9            10 
      1  -0.851540D+00  0.109907D+02  0.386034D+01  0.594924D+01 -0.131990D+02
      2   0.195085D+01 -0.119571D+02 -0.574448D+01 -0.105057D+02  0.858430D+01
      3  -0.109931D+01  0.966461D+00  0.188413D+01  0.455647D+01  0.461472D+01
      4  -0.968835D+01 -0.798488D+00 -0.980577D+01  0.118148D+02  0.698532D+01
      5   0.936426D+01  0.246087D+02  0.145752D+02  0.542004D+01  0.704754D+01
      6   0.249511D+01  0.774748D+01  0.102990D+02 -0.309089D+01  0.748184D+00
                11            12            13            14            15 
      1   0.536407D+01  0.694884D+01 -0.204791D+02 -0.197345D+02 -0.644201D+01
      2  -0.273802D+01 -0.312302D+01  0.179963D+02  0.184184D+02  0.761649D+01
      3  -0.262605D+01 -0.382582D+01  0.248274D+01  0.131612D+01 -0.117448D+01
      4   0.215100D+02  0.226713D+00 -0.198098D+02  0.143115D+02  0.800115D+01
      5  -0.140723D+00  0.132827D+02 -0.113124D+02  0.533841D+01 -0.309008D+01
      6  -0.194924D+00 -0.275054D+01  0.684731D+01  0.368700D+01 -0.157934D+01
                16            17            18            19            20 
      1   0.415543D+01 -0.916139D+01  0.114536D+02  0.125281D+02  0.564957D+01
      2   0.190053D+01  0.693822D+01 -0.165735D+02 -0.103173D+02 -0.749829D+01
      3  -0.605596D+01  0.222317D+01  0.511986D+01 -0.221082D+01  0.184872D+01
      4  -0.134009D+02  0.386328D+01 -0.314330D+01  0.115468D+02 -0.220315D+02
      5   0.315217D+02 -0.543777D+01 -0.673961D+01 -0.676969D+00 -0.215565D+01
      6  -0.166667D+01  0.531251D+01 -0.306493D+01 -0.235144D+01  0.135427D+01
                21            22            23            24            25 
      1  -0.150751D+01  0.716406D+01  0.114434D+02  0.558734D+01 -0.205161D+01
      2   0.816676D+00 -0.360125D+00 -0.164530D+02 -0.818757D+01  0.229632D+01
      3   0.690838D+00 -0.680393D+01  0.500960D+01  0.260023D+01 -0.244711D+00
      4  -0.433955D+01  0.165438D+02  0.879990D+01 -0.446578D+00  0.898096D+00
      5  -0.407866D+01  0.716978D+00  0.108432D+00  0.301872D+01  0.215838D+01
      6  -0.316095D+01  0.251090D+01 -0.123243D+02  0.407770D+01  0.170494D+00
                26            27            28            29            30 
      1   0.457136D+01 -0.135439D+02 -0.229513D+02  0.779690D+01  0.245955D+01
      2  -0.110396D+02  0.675527D+00  0.134007D+02 -0.407143D+01  0.493944D-01
      3   0.646824D+01  0.128683D+02  0.955060D+01 -0.372547D+01 -0.250895D+01
      4   0.276240D+01  0.873192D+01 -0.107017D+02  0.924483D+01  0.574252D+00
      5   0.755120D+01  0.814226D+01  0.399111D+01 -0.126521D+01 -0.157000D+01
      6   0.142897D+02  0.561267D+01 -0.241675D+01 -0.269042D+00 -0.240892D+01
                31            32            33            34            35 
      1  -0.467651D+01 -0.515116D+01  0.117867D-01  0.657006D+01 -0.116963D+01
      2   0.948738D+01  0.994823D+01  0.231782D+01 -0.296081D-01  0.489975D+00
      3  -0.481086D+01 -0.479707D+01 -0.232961D+01 -0.654046D+01  0.679658D+00
      4  -0.801412D+01  0.108172D+02  0.196964D+01 -0.429666D+01  0.172168D+01
      5  -0.258396D+01  0.471772D+00 -0.603368D+00  0.319245D+01 -0.700639D+00
      6   0.622318D+01  0.277797D+01  0.108696D+01 -0.139480D+01  0.580773D+01
                36            37            38            39            40 
      1  -0.101537D+02 -0.176974D+02 -0.247139D+02 -0.482852D+01 -0.502834D+01
      2  -0.302651D+01  0.135549D+02  0.187945D+02  0.275406D+01 -0.442323D+01
      3   0.131802D+02  0.414252D+01  0.591941D+01  0.207446D+01  0.945158D+01
      4  -0.279038D+01 -0.646632D+01 -0.143694D+01  0.257493D+01  0.523434D+01
      5   0.307125D+00 -0.102412D+01  0.279328D+01 -0.107115D+01  0.399174D+01
      6  -0.138601D+01  0.629570D+01  0.394821D+01  0.268279D+01 -0.677000D+01
                41            42            43            44            45 
      1  -0.631950D+01  0.310537D+01  0.855000D-01  0.669224D+01 -0.102420D+02
      2   0.639028D+01  0.510859D-01 -0.198557D+01 -0.511094D+01  0.150165D+00
      3  -0.707757D-01 -0.315646D+01  0.190007D+01 -0.158130D+01  0.100918D+02
      4  -0.907117D+01 -0.284271D+01  0.202588D+01 -0.166974D+01 -0.179744D+01
      5  -0.240510D+01 -0.175784D+01  0.371443D+01 -0.268884D+01  0.150488D+01
      6  -0.943593D+00  0.215189D+01  0.937696D+00  0.759031D+01 -0.198708D+01
                46            47            48            49            50 
      1   0.180222D+02  0.170104D+02 -0.633366D+00 -0.167174D+02  0.139345D+02
      2  -0.163127D+02 -0.125643D+02 -0.378312D+00  0.137197D+02 -0.194528D+02
      3  -0.170948D+01 -0.444608D+01  0.101168D+01  0.299774D+01  0.551834D+01
      4   0.699111D+01 -0.176065D+02 -0.649753D+01  0.108349D+02 -0.121811D+01
      5   0.341908D+01 -0.541367D+01 -0.269874D+01  0.903952D+00  0.437915D+01
      6  -0.730512D+01  0.184672D+01 -0.349457D+00  0.316401D+01 -0.109920D+02
                51            52            53            54            55 
      1   0.401555D+01 -0.549594D+01 -0.102479D+01 -0.672540D+01  0.189713D+02
      2  -0.660101D+01  0.742025D+01 -0.740138D+01 -0.383482D+01 -0.936868D+01
      3   0.258546D+01 -0.192431D+01  0.842617D+01  0.105602D+02 -0.960258D+01
      4   0.438724D+01 -0.280263D+01  0.104281D+02 -0.129207D+02  0.826106D+01
      5  -0.784524D+01  0.826534D+01 -0.124225D+02 -0.755656D+01 -0.193874D+01
      6   0.367879D+01 -0.484173D+01  0.128489D+02  0.309700D+01  0.271859D+01
                56            57            58            59            60 
      1  -0.501388D+01  0.218665D+01 -0.424888D+01 -0.534293D+01  0.407865D+01
      2   0.253671D+01 -0.138809D+01  0.171984D+00  0.474258D+01 -0.289340D+01
      3   0.247716D+01 -0.798556D+00  0.407690D+01  0.600351D+00 -0.118525D+01
      4  -0.115143D+02  0.299550D+01 -0.216870D+02 -0.634368D+01  0.622469D+01
      5   0.330465D+01 -0.990512D+01  0.398954D+01  0.782946D+01  0.148337D+02
      6  -0.751042D+00  0.684936D+01  0.264873D+01 -0.397236D+01 -0.123721D+02
                61            62            63            64            65 
      1  -0.456395D+01  0.575507D+01  0.238081D+01 -0.330192D+02 -0.117577D+02
      2  -0.629601D+00 -0.238290D-02 -0.141736D+01  0.102038D+02  0.858352D+01
      3   0.519355D+01 -0.575269D+01 -0.963457D+00  0.228154D+02  0.317416D+01
      4   0.910848D+01  0.646894D+00  0.220890D+02 -0.153370D+02  0.992066D+00
      5  -0.214502D+02  0.196981D+02  0.598410D+01 -0.109142D+02  0.150716D-01
      6   0.164544D+02 -0.149188D+02 -0.899702D+01 -0.409779D+01  0.169615D+00
                66            67            68            69            70 
      1  -0.113669D+02 -0.103704D+02  0.651846D+01  0.215484D+00 -0.204257D+02
      2   0.694045D+01  0.946788D+01  0.381171D+00 -0.658932D+01  0.861941D+01
      3   0.442642D+01  0.902560D+00 -0.689964D+01  0.637384D+01  0.118063D+02
      4  -0.318586D+01  0.450957D+01  0.144914D+02 -0.407982D+01 -0.587184D+01
      5   0.267618D+01  0.230511D+01 -0.686814D+01 -0.674854D+01 -0.141413D+01
      6   0.129335D+00 -0.164813D+01 -0.272912D+01 -0.304412D+01 -0.287304D+01
                71            72            73            74            75 
      1  -0.198944D+01  0.655807D+01  0.252711D+01  0.997415D+01  0.848944D+01
      2  -0.804064D+01  0.112625D+02  0.465374D+01 -0.365339D+01 -0.714334D+01
      3   0.100301D+02 -0.178206D+02 -0.718085D+01 -0.632076D+01 -0.134610D+01
      4   0.999922D+00 -0.107766D+02  0.392610D+01  0.182842D+01 -0.242950D+01
      5  -0.974967D+01  0.240661D+02  0.101462D+01 -0.444749D+01 -0.657501D+01
      6  -0.191346D+01  0.169713D+02 -0.274896D+01 -0.798621D+01 -0.661326D+01
                76            77            78            79            80 
      1   0.184904D+02  0.250684D+02 -0.780397D+01  0.130555D+02 -0.726839D+01
      2  -0.161409D+02 -0.371424D+02  0.135885D+02 -0.632771D+01  0.190583D+02
      3  -0.234949D+01  0.120740D+02 -0.578452D+01 -0.672778D+01 -0.117899D+02
      4  -0.240996D+01 -0.104219D+02  0.165999D+01 -0.578831D+01 -0.149697D+01
      5  -0.635206D+01  0.268497D+01 -0.259579D+01 -0.108512D+02 -0.814513D+01
      6  -0.335766D+01  0.126131D+02 -0.606964D+01 -0.150311D+02 -0.167166D+02
                81            82            83            84            85 
      1   0.115844D+02  0.388714D+02  0.202854D+02  0.222432D+01  0.160831D+02
      2  -0.634765D+01 -0.130776D+02 -0.341659D+01 -0.110380D+01  0.173202D+01
      3  -0.523677D+01 -0.257938D+02 -0.168689D+02 -0.112052D+01 -0.178151D+02
      4  -0.969996D+01  0.421087D+02  0.318906D+02  0.233356D+01  0.367027D+02
      5  -0.147267D+02  0.492333D+01  0.259414D+01  0.723300D+01  0.514709D+01
      6  -0.187399D+02  0.625714D+00  0.439784D+00  0.349178D+01  0.214363D+01
                86            87            88            89            90 
      1   0.106893D+02  0.151497D+01  0.289082D+00  0.356006D+00  0.107660D+01
      2   0.783269D+01 -0.554558D+00  0.941326D+00  0.933451D+00  0.350308D+00
      3  -0.185220D+02 -0.960408D+00 -0.123041D+01 -0.128946D+01 -0.142691D+01
      4   0.384433D+02  0.380306D+01  0.384637D+01  0.409079D+01  0.367514D+01
      5   0.458977D+01  0.555863D+01  0.310865D+01  0.236749D+01  0.823738D+00
      6   0.209223D+01  0.459010D+01  0.197767D+01  0.236020D+01  0.116414D+01
                91            92            93            94            95 
      1   0.909746D+02 -0.160746D+02 -0.938693D+01 -0.147475D+02  0.112219D+02
      2  -0.514017D+02  0.803907D+01  0.659718D+01  0.649373D+01 -0.465489D+01
      3  -0.395729D+02  0.803555D+01  0.278974D+01  0.825379D+01 -0.656704D+01
      4  -0.257368D+02  0.130007D+02  0.261425D+01  0.195377D+02 -0.943065D+01
      5  -0.145520D+02  0.246753D+01  0.117143D+02  0.527881D+01 -0.288789D+01
      6  -0.518230D-01 -0.655597D+00 -0.144858D+01 -0.165165D+01  0.701001D+00
                96            97            98            99           100 
      1   0.279853D+01 -0.112680D+02  0.341114D+01  0.467700D+01 -0.422801D+01
      2  -0.200686D+01  0.668266D+01 -0.196810D+01 -0.294964D+01  0.587125D+01
      3  -0.791669D+00  0.458532D+01 -0.144304D+01 -0.172736D+01 -0.164324D+01
      4  -0.272799D+01  0.586019D+01 -0.289536D+01 -0.242857D+01 -0.134841D+00
      5  -0.300813D+01  0.580591D+01 -0.143947D+01 -0.307617D+01  0.271614D-01
      6   0.193753D+01 -0.959553D+00  0.112070D+01  0.838161D+00  0.219218D+01
               101           102           103           104           105 
      1   0.748769D+01  0.249174D+01  0.399007D+01 -0.385726D+02 -0.897593D+01
      2  -0.761030D+01 -0.170572D+01 -0.413298D+01  0.525376D+02  0.881703D+01
      3   0.122610D+00 -0.786021D+00  0.142910D+00 -0.139651D+02  0.158900D+00
      4   0.724160D+01  0.119253D+01  0.560003D+01  0.113729D+02  0.294235D+01
      5   0.947878D+00  0.119715D+01  0.102999D+01  0.375309D+01  0.220745D+01
      6  -0.316977D+01 -0.189586D+01 -0.856157D+00  0.158037D+02  0.104028D+02
               106           107           108           109           110 
      1   0.112574D+01 -0.912952D+01 -0.432686D+01  0.194974D+01 -0.274315D+01
      2  -0.112228D+01  0.106319D+02  0.447130D+01  0.337637D+01 -0.330065D+01
      3  -0.346303D-02 -0.150240D+01 -0.144446D+00 -0.532611D+01  0.604380D+01
      4   0.123061D+01  0.202623D+01 -0.546322D+00 -0.125439D+02  0.166660D+02
      5   0.757317D+00  0.490509D+00  0.476075D-01 -0.295602D+01  0.374595D+01
      6  -0.423161D+00  0.660956D+01  0.438851D+01  0.258548D+01 -0.304387D+01
               111           112           113           114           115 
      1  -0.424818D+00  0.221372D+01 -0.234156D+02 -0.504759D+01  0.192190D+00
      2  -0.285030D+00 -0.927910D+01  0.419864D+02  0.584895D+01 -0.161589D+01
      3   0.709848D+00  0.706538D+01 -0.185707D+02 -0.801351D+00  0.142370D+01
      4   0.398271D+01  0.185049D+02 -0.416646D+02 -0.828759D+01  0.489672D+01
      5   0.334606D+01  0.363369D+01 -0.743149D+01 -0.570707D+01  0.177858D+01
      6  -0.215432D+01 -0.398473D+01  0.130140D+02  0.960336D+01 -0.190913D+01
               116           117           118           119           120 
      1  -0.410523D+01 -0.325049D+01  0.374364D+01 -0.192596D+01 -0.338761D+01
      2   0.686336D+01  0.388433D+01 -0.332798D+01  0.110021D+01  0.289069D+01
      3  -0.275813D+01 -0.633836D+00 -0.415659D+00  0.825749D+00  0.496926D+00
      4  -0.976134D+01 -0.325852D+01 -0.802820D+01  0.912255D+01  0.456350D+01
      5  -0.281049D+01 -0.206911D+01 -0.853685D+01  0.397858D+01  0.108740D+02
      6   0.612394D+01  0.411187D+01  0.576754D+01 -0.267796D+01 -0.419216D+01
               121           122           123           124           125 
      1   0.568580D+00 -0.586387D+01 -0.580775D+01 -0.631052D+00 -0.569273D+01
      2  -0.841360D+00  0.569768D+01  0.288112D+01  0.382640D+01  0.354805D+00
      3   0.272780D+00  0.166182D+00  0.292663D+01 -0.319535D+01  0.533792D+01
      4   0.133205D+02 -0.140621D+02 -0.974998D+01  0.755152D+01 -0.995993D+01
      5   0.582176D+01 -0.988684D+01 -0.119063D+02  0.155455D+02 -0.123636D+02
      6  -0.569145D+01  0.127878D+02  0.144333D+02 -0.911620D+01  0.141505D+02
               126           127           128           129           130 
      1  -0.964896D+01 -0.526751D+02  0.214543D+02 -0.405913D+01  0.121142D+02
      2  -0.576070D+01  0.205599D+02 -0.185016D+02  0.333263D+00 -0.100069D+02
      3   0.154097D+02  0.321152D+02 -0.295267D+01  0.372587D+01 -0.210732D+01
      4  -0.127862D+02  0.273923D+02  0.599684D+01 -0.446457D+01  0.114576D+02
      5  -0.228871D+02 -0.570431D+01 -0.124309D+01  0.999587D+01 -0.485657D+01
      6   0.197052D+02 -0.200763D+01  0.749489D+01 -0.529345D+01  0.644429D+01
               131           132           133           134           135 
      1   0.231098D+02 -0.136654D+01  0.302784D+01 -0.269530D+01  0.820017D+01
      2  -0.246360D+02  0.149500D+02 -0.299498D+01  0.121260D+02  0.786559D+01
      3   0.152621D+01 -0.135835D+02 -0.328571D-01 -0.943069D+01 -0.160658D+02
      4   0.552344D+01 -0.426938D+01 -0.140658D+02  0.473061D+00 -0.216855D+02
      5  -0.456710D+00 -0.143615D+02  0.173131D+02 -0.179513D+02 -0.336830D+01
      6   0.905289D+01  0.451453D+01 -0.116626D+02  0.707117D+01 -0.409777D+01
               136           137           138           139           140 
      1   0.446961D+01  0.370297D+01 -0.464552D+01  0.152522D+01 -0.515264D+01
      2  -0.487048D+01 -0.255523D+01  0.284960D+01 -0.139812D+01  0.104838D+01
      3   0.400869D+00 -0.114774D+01  0.179592D+01 -0.127099D+00  0.410426D+01
      4   0.442353D+01  0.157847D+01 -0.329025D+01  0.418216D+01  0.387086D+01
      5  -0.580761D+01 -0.264271D+01  0.695198D+01 -0.342418D+01 -0.582316D+01
      6  -0.310159D+01 -0.452770D+00  0.212255D+00 -0.239793D+01 -0.638697D+01
               141           142           143           144           145 
      1   0.352474D+01 -0.298190D+01  0.451841D+01 -0.136753D+02  0.665198D+02
      2  -0.256690D+00  0.763493D+01  0.192596D+01 -0.196512D+02 -0.321909D+02
      3  -0.326805D+01 -0.465303D+01 -0.644438D+01  0.333266D+02 -0.343289D+02
      4  -0.676407D+01 -0.589564D+01 -0.910228D+01  0.119693D+02  0.260754D+02
      5   0.694116D+01  0.154546D+02  0.108167D+02 -0.377364D+02  0.205224D+01
      6   0.107829D+02  0.617495D+01  0.103946D+02 -0.221907D+02  0.948240D+00
               146           147           148           149           150 
      1   0.991904D+01  0.615114D+01  0.580078D+01  0.668742D+01  0.209602D+00
      2  -0.294686D+01 -0.224498D+01 -0.108038D+00 -0.849629D+00  0.123061D+01
      3  -0.697218D+01 -0.390616D+01 -0.569274D+01 -0.583779D+01 -0.144021D+01
      4   0.140787D+02  0.154692D+01  0.133878D+02  0.569919D+01  0.219808D+01
      5  -0.373973D+00  0.875057D+01 -0.590920D-02  0.182045D+01  0.159751D+01
      6  -0.185582D+00  0.237706D+01 -0.329268D+00  0.898184D+00  0.203801D+01
               151           152           153           154           155 
      1   0.147830D+02  0.196826D+01  0.656319D+01 -0.118677D+01  0.503531D+01
      2  -0.682066D+01  0.112620D+01 -0.538665D+01  0.430722D+01 -0.548165D+01
      3  -0.796234D+01 -0.309445D+01 -0.117654D+01 -0.312045D+01  0.446340D+00
      4   0.629856D+01  0.458894D+01  0.458256D+01  0.141502D+01  0.831205D+01
      5   0.110212D+02  0.301647D+01  0.233399D+01 -0.736225D+00 -0.712946D+00
      6   0.299541D+01  0.196358D+01 -0.244265D+00 -0.302762D+01  0.129328D+01
               156           157           158           159           160 
      1  -0.229136D+01 -0.385209D+01 -0.400088D+02  0.765117D+01 -0.117349D+01
      2   0.173015D+01  0.734998D+01  0.645688D+02 -0.117014D+02 -0.115743D+01
      3   0.561206D+00 -0.349789D+01 -0.245600D+02  0.405019D+01  0.233092D+01
      4  -0.194114D+01  0.969733D+01  0.181634D+02 -0.301995D+01 -0.341278D+01
      5   0.274914D+01 -0.121421D+01 -0.264898D+01  0.255605D+01  0.361555D+01
      6  -0.638585D-01 -0.203727D+01 -0.158795D+02  0.104640D+02  0.418367D+01
               161           162           163           164           165 
      1   0.127239D+02 -0.896530D+01  0.205346D+01 -0.104527D+01  0.463410D-01
      2  -0.188981D+02  0.953814D+01 -0.370330D+01  0.119853D+01 -0.269766D-01
      3   0.617417D+01 -0.572845D+00  0.164984D+01 -0.153261D+00 -0.193644D-01
      4  -0.539964D+01  0.411089D+01  0.678971D+01  0.649198D+01  0.637799D+01
      5   0.416906D+01 -0.443685D+00  0.713937D+01  0.465374D+01  0.980079D+01
      6   0.158636D+02 -0.686770D+01  0.688493D+01  0.445341D+01  0.637766D+01
               166           167           168           169           170 
      1  -0.450089D+01 -0.109883D+02 -0.516743D+01 -0.405425D+01 -0.106573D+02
      2   0.578582D+01  0.125544D+02  0.455377D+01 -0.239685D-01  0.625731D+01
      3  -0.128493D+01 -0.156614D+01  0.613658D+00  0.407822D+01  0.440003D+01
      4   0.526606D+01  0.757598D+01  0.546281D+01  0.114133D+02  0.101738D+02
      5   0.263818D+01  0.541136D+01  0.401595D+01  0.131326D+02  0.110080D+02
      6   0.456549D+01  0.803688D+01  0.974070D+01  0.128121D+02  0.191996D+02
               171           172           173           174           175 
      1  -0.172419D+02  0.339707D+01 -0.721836D+00  0.584746D+01  0.300986D+01
      2   0.563543D+00 -0.430468D+01  0.172749D+01 -0.574828D+00 -0.192283D+01
      3   0.166783D+02  0.907606D+00 -0.100566D+01 -0.527264D+01 -0.108703D+01
      4   0.109693D+02 -0.304714D+00 -0.169295D+01 -0.799192D+00 -0.201922D+01
      5   0.208267D+02  0.277976D+01  0.127699D+01  0.848778D+00  0.448157D+01
      6   0.302055D+02  0.181320D+00 -0.164980D+01  0.191007D+01 -0.997350D+00
               176           177           178           179           180 
      1  -0.520195D+01 -0.271234D+01  0.464191D+01 -0.156582D+01 -0.136758D+02
      2  -0.401911D+00 -0.888030D+01 -0.338484D+01 -0.676521D+01 -0.178430D+02
      3   0.560386D+01  0.115926D+02 -0.125707D+01  0.833103D+01  0.315188D+02
      4   0.682058D+01  0.554134D+01 -0.134234D+01  0.685753D+01  0.763282D+01
      5   0.393421D+01  0.111602D+02  0.639841D+01  0.475185D+01  0.235042D+02
      6   0.216333D+01  0.107612D+01 -0.423464D+00  0.364574D+01 -0.539062D+01
               181           182           183           184           185 
      1   0.780576D+02 -0.137743D+02  0.162650D+01 -0.505369D+01  0.486381D+01
      2  -0.356776D+02  0.303443D+01 -0.281672D+01 -0.142615D+01  0.162814D+01
      3  -0.423801D+02  0.107398D+02  0.119022D+01  0.647984D+01 -0.649195D+01
      4  -0.420750D+02  0.190794D+02 -0.274833D+01  0.149020D+02 -0.989801D+01
      5   0.180182D+02 -0.457373D+01  0.111599D+02 -0.942573D+00  0.175945D+01
      6  -0.295260D+01  0.271086D+01 -0.460051D+01  0.130822D+01 -0.200648D+01
               186           187           188           189           190 
      1   0.211232D+00 -0.511038D+01  0.760381D+00  0.614104D+01 -0.133458D+01
      2  -0.128495D+01  0.258604D+00 -0.194913D+00 -0.492073D+01  0.473646D+01
      3   0.107371D+01  0.485177D+01 -0.565468D+00 -0.122030D+01 -0.340188D+01
      4   0.875306D+00  0.368640D+01 -0.191419D+01 -0.212332D+01 -0.162618D+01
      5   0.153616D+00  0.950817D+01 -0.682986D+00  0.734057D+00 -0.897815D+00
      6   0.131081D+01 -0.344820D+01  0.129594D+01  0.599643D+00 -0.175792D+01
               191           192           193           194           195 
      1  -0.126761D+02  0.399360D+01 -0.818197D+01 -0.306825D+02  0.775824D+01
      2   0.133566D+02 -0.214334D+01  0.560165D+01  0.443291D+02 -0.786533D+01
      3  -0.680535D+00 -0.185026D+01  0.258032D+01 -0.136466D+02  0.107091D+00
      4  -0.794095D+00  0.100131D+01  0.610187D+01 -0.249611D+02  0.640196D+01
      5  -0.707528D+00 -0.187109D+01 -0.327270D+01  0.401189D+01 -0.378347D+01
      6  -0.568980D+01  0.439605D+01 -0.826090D+00 -0.189593D+02  0.108615D+02
               196           197           198 
      1   0.445198D+00  0.635003D+01 -0.792182D+01
      2   0.751079D-01 -0.503223D+01  0.466883D+01
      3  -0.520306D+00 -0.131779D+01  0.325299D+01
      4   0.859267D+00  0.337256D+01 -0.161882D+01
      5   0.148089D+00 -0.248054D+01  0.249986D+01
      6   0.186759D+01  0.985984D+01 -0.539844D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 16:13:48 2021, MaxMem= 10737418240 cpu:           12592.5 elap:             789.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44213 -10.43972 -10.43856 -10.43829 -10.43781
 Alpha  occ. eigenvalues --  -10.43747 -10.43727 -10.43667 -10.43322 -10.42734
 Alpha  occ. eigenvalues --   -1.01083  -0.94943  -0.89364  -0.85442  -0.83891
 Alpha  occ. eigenvalues --   -0.77741  -0.73007  -0.69573  -0.68172  -0.62116
 Alpha  occ. eigenvalues --   -0.59507  -0.57344  -0.56147  -0.53859  -0.52570
 Alpha  occ. eigenvalues --   -0.51205  -0.50177  -0.49205  -0.47872  -0.45379
 Alpha  occ. eigenvalues --   -0.43945  -0.43145  -0.42702  -0.42158  -0.34348
 Alpha  occ. eigenvalues --   -0.32890
 Alpha virt. eigenvalues --    0.05079   0.06002   0.06498   0.06766   0.07532
 Alpha virt. eigenvalues --    0.08308   0.08977   0.09124   0.11606   0.12077
 Alpha virt. eigenvalues --    0.12698   0.13923   0.16629   0.16662   0.17296
 Alpha virt. eigenvalues --    0.18448   0.19438   0.19458   0.20397   0.21722
 Alpha virt. eigenvalues --    0.21972   0.22670   0.23633   0.23849   0.24731
 Alpha virt. eigenvalues --    0.25740   0.25987   0.26542   0.26861   0.27745
 Alpha virt. eigenvalues --    0.29021   0.29553   0.30920   0.31141   0.31458
 Alpha virt. eigenvalues --    0.32249   0.32900   0.32929   0.34103   0.34516
 Alpha virt. eigenvalues --    0.34973   0.35364   0.36345   0.36400   0.37168
 Alpha virt. eigenvalues --    0.37440   0.37922   0.38564   0.38904   0.39580
 Alpha virt. eigenvalues --    0.40203   0.40431   0.40798   0.41412   0.42033
 Alpha virt. eigenvalues --    0.42090   0.42630   0.43021   0.43398   0.43685
 Alpha virt. eigenvalues --    0.44181   0.44813   0.45369   0.45797   0.46200
 Alpha virt. eigenvalues --    0.46905   0.47134   0.47543   0.47981   0.48439
 Alpha virt. eigenvalues --    0.49351   0.49890   0.50314   0.50947   0.51082
 Alpha virt. eigenvalues --    0.52401   0.52555   0.52711   0.53090   0.54086
 Alpha virt. eigenvalues --    0.54926   0.55572   0.56170   0.56479   0.56962
 Alpha virt. eigenvalues --    0.58013   0.58120   0.59553   0.60408   0.60500
 Alpha virt. eigenvalues --    0.61132   0.61475   0.62963   0.63989   0.64556
 Alpha virt. eigenvalues --    0.65802   0.66487   0.67065   0.67680   0.68097
 Alpha virt. eigenvalues --    0.68353   0.69981   0.70612   0.71136   0.71754
 Alpha virt. eigenvalues --    0.72676   0.74199   0.75213   0.77088   0.77982
 Alpha virt. eigenvalues --    0.78422   0.78729   0.80526   0.82266   0.82465
 Alpha virt. eigenvalues --    0.83069   0.85017   0.85686   0.86929   0.89108
 Alpha virt. eigenvalues --    0.90562   0.92287   0.95660   0.97229   0.98682
 Alpha virt. eigenvalues --    1.00976   1.02794   1.04096   1.04605   1.05519
 Alpha virt. eigenvalues --    1.05831   1.06843   1.07995   1.08656   1.09076
 Alpha virt. eigenvalues --    1.09819   1.10422   1.11038   1.11796   1.12718
 Alpha virt. eigenvalues --    1.13903   1.16179   1.16428   1.18565   1.18977
 Alpha virt. eigenvalues --    1.19234   1.20995   1.21726   1.22225   1.24995
 Alpha virt. eigenvalues --    1.26340   1.27584   1.28531   1.29278   1.30518
 Alpha virt. eigenvalues --    1.32212   1.33997   1.34418   1.34807   1.36904
 Alpha virt. eigenvalues --    1.39267   1.41789   1.44342   1.45259   1.47109
 Alpha virt. eigenvalues --    1.49472   1.50284   1.53004   1.56434   1.57624
 Alpha virt. eigenvalues --    1.59697   1.62990   1.64984   1.70571   1.71245
 Alpha virt. eigenvalues --    1.72912   1.74628   1.76566   1.78615   1.81495
 Alpha virt. eigenvalues --    1.82806   1.83664   1.84819   1.86290   1.88643
 Alpha virt. eigenvalues --    1.89881   1.90822   1.92949   1.93762   1.96082
 Alpha virt. eigenvalues --    1.97814   1.98431   1.98942   2.00116   2.02807
 Alpha virt. eigenvalues --    2.04144   2.04887   2.07287   2.08964   2.09931
 Alpha virt. eigenvalues --    2.10904   2.12884   2.13376   2.15062   2.16257
 Alpha virt. eigenvalues --    2.16979   2.17944   2.22626   2.23967   2.24272
 Alpha virt. eigenvalues --    2.24767   2.26766   2.27260   2.29536   2.31197
 Alpha virt. eigenvalues --    2.33804   2.36897   2.38088   2.41536   2.44456
 Alpha virt. eigenvalues --    2.46670   2.48767   2.49619   2.49864   2.50656
 Alpha virt. eigenvalues --    2.51533   2.53983   2.56293   2.57299   2.58343
 Alpha virt. eigenvalues --    2.60249   2.62592   2.66733   2.68455   2.70761
 Alpha virt. eigenvalues --    2.71534   2.76314   2.78967   2.81022   2.82757
 Alpha virt. eigenvalues --    2.84838   2.93990   2.94836   2.96299   2.97662
 Alpha virt. eigenvalues --    3.02097   3.07966   3.09160   3.11484   3.14978
 Alpha virt. eigenvalues --    3.17764   3.18836   3.22764   3.24273   3.24916
 Alpha virt. eigenvalues --    3.28458   3.29061   3.34107   3.42644   3.76135
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.660309   0.091963  -0.454982   0.397219  -0.192399   0.484660
     2  C    0.091963   6.382147   0.503251  -0.213464   0.335841  -0.192409
     3  C   -0.454982   0.503251   8.901960  -0.975265  -0.013907  -0.481656
     4  C    0.397219  -0.213464  -0.975265   9.821460  -1.564778   0.239304
     5  C   -0.192399   0.335841  -0.013907  -1.564778  10.041755  -1.318342
     6  C    0.484660  -0.192409  -0.481656   0.239304  -1.318342   8.938692
     7  C    0.027684   0.047240  -0.444414  -0.109253  -0.446887  -0.007471
     8  C    0.008651  -0.002213   0.062552  -0.064185  -0.091066   0.033219
     9  C    0.051058   0.003924   0.030633  -0.627429   0.070652  -0.421666
    10  H   -0.237359  -0.169027  -0.211149  -0.001969   0.098667  -0.063357
    11  H   -0.191251  -0.250951  -0.035075   0.101003  -0.024719  -0.183894
    12  H   -0.235971  -0.115557  -0.327210  -0.569464   0.200619   0.144672
    13  H   -0.112976  -0.157917   0.141031   0.149069  -0.338857  -0.513866
    14  H    0.006758   0.001656  -0.114635  -0.160195  -0.042225  -0.007549
    15  C   -0.001939  -0.000158  -0.015176   0.048807   0.063110   0.007558
    16  H    0.001001  -0.001196   0.002550  -0.048296   0.033536  -0.001042
    17  H   -0.001048   0.000024  -0.000938   0.032363  -0.087472   0.007872
    18  H   -0.002610   0.002784  -0.006387   0.089316  -0.034068  -0.057060
    19  H   -0.004010  -0.002764  -0.010416   0.063887   0.169872  -0.005411
    20  H   -0.003138  -0.000183  -0.000797  -0.039654   0.050536  -0.001102
    21  H   -0.000067  -0.000059   0.007353   0.006912   0.006085  -0.000474
    22  H    0.004251   0.000986  -0.010913  -0.039765  -0.047231  -0.001460
               7          8          9         10         11         12
     1  C    0.027684   0.008651   0.051058  -0.237359  -0.191251  -0.235971
     2  C    0.047240  -0.002213   0.003924  -0.169027  -0.250951  -0.115557
     3  C   -0.444414   0.062552   0.030633  -0.211149  -0.035075  -0.327210
     4  C   -0.109253  -0.064185  -0.627429  -0.001969   0.101003  -0.569464
     5  C   -0.446887  -0.091066   0.070652   0.098667  -0.024719   0.200619
     6  C   -0.007471   0.033219  -0.421666  -0.063357  -0.183894   0.144672
     7  C    6.727234   0.116867  -0.145720   0.004445  -0.001445  -0.092868
     8  C    0.116867   4.861265   0.325932  -0.000488   0.000285  -0.001698
     9  C   -0.145720   0.325932   5.847498  -0.002445   0.005223   0.004599
    10  H    0.004445  -0.000488  -0.002445   2.063455  -0.433706  -0.429507
    11  H   -0.001445   0.000285   0.005223  -0.433706   2.080031   0.047935
    12  H   -0.092868  -0.001698   0.004599  -0.429507   0.047935   1.918370
    13  H   -0.006187  -0.004504  -0.075184   0.044428  -0.420119  -0.013440
    14  H    0.264652  -0.066618  -0.014741  -0.000830   0.000019   0.012164
    15  C    0.134881  -0.054886   0.007987   0.000333  -0.000267  -0.002472
    16  H   -0.046049   0.304957   0.066232  -0.000024   0.000003   0.001437
    17  H    0.108026   0.256991  -0.013463   0.000020  -0.000015  -0.001683
    18  H    0.011024  -0.036164   0.145671   0.000119  -0.000991  -0.000083
    19  H    0.035094  -0.016117  -0.027873   0.000150  -0.000741   0.000486
    20  H    0.120604  -0.028958   0.025950   0.000064   0.000053   0.000152
    21  H    0.019131  -0.005670  -0.009741  -0.000012   0.000001   0.002414
    22  H    0.111554   0.023870  -0.010941  -0.000140  -0.000058  -0.004833
              13         14         15         16         17         18
     1  C   -0.112976   0.006758  -0.001939   0.001001  -0.001048  -0.002610
     2  C   -0.157917   0.001656  -0.000158  -0.001196   0.000024   0.002784
     3  C    0.141031  -0.114635  -0.015176   0.002550  -0.000938  -0.006387
     4  C    0.149069  -0.160195   0.048807  -0.048296   0.032363   0.089316
     5  C   -0.338857  -0.042225   0.063110   0.033536  -0.087472  -0.034068
     6  C   -0.513866  -0.007549   0.007558  -0.001042   0.007872  -0.057060
     7  C   -0.006187   0.264652   0.134881  -0.046049   0.108026   0.011024
     8  C   -0.004504  -0.066618  -0.054886   0.304957   0.256991  -0.036164
     9  C   -0.075184  -0.014741   0.007987   0.066232  -0.013463   0.145671
    10  H    0.044428  -0.000830   0.000333  -0.000024   0.000020   0.000119
    11  H   -0.420119   0.000019  -0.000267   0.000003  -0.000015  -0.000991
    12  H   -0.013440   0.012164  -0.002472   0.001437  -0.001683  -0.000083
    13  H    1.807772   0.000467   0.000223  -0.000463   0.000032   0.030620
    14  H    0.000467   1.266236  -0.053689  -0.126616   0.083676   0.004249
    15  C    0.000223  -0.053689   4.380255   0.037501  -0.097957  -0.005161
    16  H   -0.000463  -0.126616   0.037501   1.028721  -0.218327  -0.074231
    17  H    0.000032   0.083676  -0.097957  -0.218327   1.151142   0.026816
    18  H    0.030620   0.004249  -0.005161  -0.074231   0.026816   0.801421
    19  H    0.006363  -0.002810   0.001392   0.016184  -0.074063  -0.024866
    20  H   -0.000327  -0.011044   0.285205  -0.002690  -0.026451  -0.000185
    21  H   -0.000007  -0.058937   0.303298   0.012420  -0.003930  -0.000670
    22  H    0.000259   0.052902   0.192434  -0.005132   0.009217   0.000497
              19         20         21         22
     1  C   -0.004010  -0.003138  -0.000067   0.004251
     2  C   -0.002764  -0.000183  -0.000059   0.000986
     3  C   -0.010416  -0.000797   0.007353  -0.010913
     4  C    0.063887  -0.039654   0.006912  -0.039765
     5  C    0.169872   0.050536   0.006085  -0.047231
     6  C   -0.005411  -0.001102  -0.000474  -0.001460
     7  C    0.035094   0.120604   0.019131   0.111554
     8  C   -0.016117  -0.028958  -0.005670   0.023870
     9  C   -0.027873   0.025950  -0.009741  -0.010941
    10  H    0.000150   0.000064  -0.000012  -0.000140
    11  H   -0.000741   0.000053   0.000001  -0.000058
    12  H    0.000486   0.000152   0.002414  -0.004833
    13  H    0.006363  -0.000327  -0.000007   0.000259
    14  H   -0.002810  -0.011044  -0.058937   0.052902
    15  C    0.001392   0.285205   0.303298   0.192434
    16  H    0.016184  -0.002690   0.012420  -0.005132
    17  H   -0.074063  -0.026451  -0.003930   0.009217
    18  H   -0.024866  -0.000185  -0.000670   0.000497
    19  H    0.846998  -0.011158   0.004091   0.000775
    20  H   -0.011158   0.793736  -0.031134  -0.079680
    21  H    0.004091  -0.031134   0.711849  -0.077950
    22  H    0.000775  -0.079680  -0.077950   0.902590
 Mulliken charges:
               1
     1  C   -0.295803
     2  C   -0.263920
     3  C   -0.546410
     4  C   -0.535623
     5  C   -0.868722
     6  C   -0.599221
     7  C   -0.428143
     8  C    0.377979
     9  C    0.763847
    10  H    0.338333
    11  H    0.308679
    12  H    0.461937
    13  H    0.463584
    14  H   -0.032888
    15  C    0.768720
    16  H    0.019523
    17  H   -0.150834
    18  H    0.129961
    19  H    0.034935
    20  H   -0.039800
    21  H    0.115097
    22  H   -0.021232
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.042530
     2  C    0.044759
     3  C   -0.084473
     4  C   -0.535623
     5  C   -0.868722
     6  C   -0.135637
     7  C   -0.461031
     8  C    0.246668
     9  C    0.928743
    15  C    0.822785
 Electronic spatial extent (au):  <R**2>=           1392.5899
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.5902    Y=              0.1151    Z=             -0.0149  Tot=              0.6015
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.3404   YY=            -56.9378   ZZ=            -63.3870
   XY=              0.1099   XZ=             -0.7210   YZ=              1.4467
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.8813   YY=              2.2840   ZZ=             -4.1652
   XY=              0.1099   XZ=             -0.7210   YZ=              1.4467
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -9.1438  YYY=             -0.4429  ZZZ=             -0.4830  XYY=             -3.8183
  XXY=             -0.6505  XXZ=              1.8423  XZZ=              7.0233  YZZ=              1.5370
  YYZ=             -1.4311  XYZ=             -1.6284
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1134.9301 YYYY=           -555.8686 ZZZZ=           -168.0437 XXXY=              1.6186
 XXXZ=             -7.3392 YYYX=              1.3542 YYYZ=              6.3183 ZZZX=             -2.2325
 ZZZY=              0.6420 XXYY=           -287.0198 XXZZ=           -241.4282 YYZZ=           -127.3232
 XXYZ=              7.8467 YYXZ=             -2.0938 ZZXY=              0.6077
 N-N= 5.059870942501D+02 E-N=-1.907725796589D+03  KE= 3.829039269518D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 16:13:49 2021, MaxMem= 10737418240 cpu:               4.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28257933D-01 4.59182780D-02-1.27765492D-02
 Polarizability= 1.37576691D+02 1.42875506D+00 1.17519961D+02
                -2.29571087D+00 5.20228097D+00 7.75956099D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2054    1.2044        0.7875    0.7859
 2     -1.2054   -1.2044       -2.6192   -2.6193      -10.5543  -10.5375
 3     -0.7875   -0.7859       30.5865   30.5762        2.6167    2.6193
 4      2.6192    2.6193        0.0000    0.0000       -0.7882   -0.7859
 5    -20.0322  -20.0387        0.7882    0.7859        1.2101    1.2044
 6     -2.6167   -2.6193       -1.2101   -1.2044        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.6132   -3.6132        2.3576    2.3576
 2      7.8580    7.8580        0.0000    0.0000        2.3576    2.3576
 3      7.8580    7.8580       -3.6132   -3.6132       -0.0000    0.0000
 4     -3.6132   -3.6132       -7.8580   -7.8580      -31.6125  -31.6125
 5     -2.3576   -2.3576       91.7286   91.7286        7.8580    7.8580
 6    -60.1161  -60.1161        2.3576    2.3576        3.6132    3.6132
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1967    0.0000       -4.5814   -4.8176       -2.8653   -3.1435
 2      4.1318    4.8176        9.8137   10.4773       42.1623   42.1500
 3      3.0254    3.1435     -122.1909 -122.3047      -10.1153  -10.4773
 4    -10.1409  -10.4773        0.1173    0.0000        3.3774    3.1435
 5     80.1108   80.1547       -3.0579   -3.1435       -4.4210   -4.8176
 6     10.6316   10.4773        5.0653    4.8176        0.0518    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2713    0.0000        3.7866    3.5180       -8.1389   -7.7886
 2     -3.8411   -3.5180       46.0165   46.1424       33.5888   33.4217
 3      7.8038    7.7886       18.8581   18.6925      -46.0817  -46.1424
 4    -46.1214  -46.1424       -0.0787    0.0000        7.9523    7.7886
 5    -52.2093  -52.1142       -8.6521   -7.7886        4.0202    3.5180
 6     45.9655   46.1424       -3.8714   -3.5180        0.1274    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.1506   -8.7503       19.7995   20.0770       15.2203   15.2463
 2    -75.4720  -75.2635       20.6063   20.4637       15.1766   15.2463
 3    -75.4954  -75.2635       19.8810   20.0770       15.0299   15.0510
 4     -0.4808   -0.3867       66.1797   66.5133       33.2921   32.8795
 5      0.2893   -0.1953       35.9044   35.7441      -66.7242  -66.5133
 6    -68.5442  -68.6236       -1.0846    0.1953        1.0064    0.3867
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0005    0.0006    2.4026    5.2078    8.5405
 Low frequencies ---  106.0399  132.0549  212.3502
 Diagonal vibrational polarizability:
        1.0892232       1.0718862       6.1129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.0370               132.0531               212.3501
 Red. masses --      2.7203                 2.8873                 2.2959
 Frc consts  --      0.0180                 0.0297                 0.0610
 IR Inten    --      0.0022                 0.5622                 1.6550
 RamAct Fr= 1--      2.5084                 3.5607                 1.2025
  Dep-P Fr= 1--      0.7490                 0.7341                 0.6674
  Dep-U Fr= 1--      0.8565                 0.8467                 0.8005
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0018
 Beta2  Fr= 1--      0.3581                 0.5025                 0.1604
 AlphaG Fr= 1--      0.0005                 0.0001                 0.0041
 Gamma2 Fr= 1--      1.2814                 0.5079                -0.1312
 Delta2 Fr= 1--      0.7397                 0.0443                 0.1141
 Raman1 Fr= 1--      10.033                 14.243                  4.810
 ROA1   Fr= 1--     146.683                 50.181                 -8.949
 CID1   Fr= 1--      14.619                  3.523                 -1.860
 Raman2 Fr= 1--       4.297                  6.030                  1.925
 ROA2   Fr= 1--      24.836                 11.836                 -4.063
 CID2   Fr= 1--       5.780                  1.963                 -2.110
 Raman3 Fr= 1--       8.593                 12.059                  3.851
 ROA3   Fr= 1--     146.683                 50.181                 -8.949
 CID3   Fr= 1--      17.070                  4.161                 -2.324
 RC180  Fr= 1--       0.713                  0.693                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.04   0.04  -0.06     0.03  -0.03   0.14
     2   6     0.02  -0.00   0.05    -0.04   0.06  -0.17     0.02  -0.00  -0.01
     3   6    -0.03   0.01  -0.14    -0.03  -0.02   0.11     0.02  -0.02   0.04
     4   6    -0.00  -0.03  -0.04    -0.01  -0.04   0.15    -0.00   0.01  -0.10
     5   6     0.03  -0.04   0.06    -0.01  -0.03   0.10     0.01   0.01  -0.08
     6   6     0.04  -0.03   0.13    -0.02   0.03  -0.06     0.01   0.02  -0.13
     7   6    -0.00  -0.03   0.00    -0.01  -0.02   0.02     0.00   0.02  -0.07
     8   6    -0.05  -0.04  -0.15    -0.09  -0.01  -0.07    -0.01   0.03  -0.03
     9   6     0.05  -0.07   0.02     0.01  -0.05   0.12     0.05  -0.08   0.17
    10   1    -0.04   0.06  -0.18    -0.06   0.06  -0.12     0.04  -0.07   0.30
    11   1     0.03   0.01   0.09    -0.05   0.11  -0.33     0.02  -0.01   0.00
    12   1    -0.06   0.02  -0.23    -0.04  -0.03   0.15     0.03  -0.04   0.12
    13   1     0.07  -0.05   0.22    -0.01   0.05  -0.14     0.00   0.03  -0.17
    14   1     0.05  -0.15   0.10    -0.11  -0.02  -0.01     0.06   0.02  -0.05
    15   6    -0.03   0.19   0.15     0.21   0.03  -0.07    -0.10   0.05  -0.00
    16   1    -0.27  -0.08  -0.16    -0.31  -0.00  -0.08    -0.17   0.11  -0.01
    17   1     0.02  -0.01  -0.35    -0.02   0.03  -0.27     0.04   0.01  -0.15
    18   1     0.03  -0.03   0.12     0.00   0.01   0.26     0.16   0.09   0.48
    19   1     0.16  -0.17   0.01     0.10  -0.21   0.12     0.03  -0.45   0.25
    20   1    -0.09   0.34   0.04     0.36   0.04  -0.05    -0.28   0.02  -0.02
    21   1    -0.02   0.21   0.22     0.19   0.05  -0.27    -0.08   0.13   0.15
    22   1    -0.01   0.20   0.30     0.27   0.02   0.03    -0.05   0.02  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    246.1990               290.6034               365.3570
 Red. masses --      1.0453                 2.8329                 2.6788
 Frc consts  --      0.0373                 0.1410                 0.2107
 IR Inten    --      0.0263                 1.0015                 0.4251
 RamAct Fr= 1--      0.0363                 0.6787                 0.6457
  Dep-P Fr= 1--      0.5731                 0.4888                 0.1784
  Dep-U Fr= 1--      0.7287                 0.6566                 0.3028
 Alpha2 Fr= 1--      0.0001                 0.0035                 0.0093
 Beta2  Fr= 1--      0.0044                 0.0743                 0.0326
 AlphaG Fr= 1--     -0.0005                -0.0029                 0.0022
 Gamma2 Fr= 1--     -0.0461                 0.1852                -0.9350
 Delta2 Fr= 1--      0.0328                 0.0425                -0.2105
 Raman1 Fr= 1--       0.145                  2.715                  2.583
 ROA1   Fr= 1--      -3.377                 19.137                -96.497
 CID1   Fr= 1--     -23.269                  7.049                -37.363
 Raman2 Fr= 1--       0.053                  0.891                  0.391
 ROA2   Fr= 1--      -1.369                  4.105                -20.757
 CID2   Fr= 1--     -25.886                  4.605                -53.079
 Raman3 Fr= 1--       0.106                  1.783                  0.782
 ROA3   Fr= 1--      -3.377                 19.137                -96.497
 CID3   Fr= 1--     -31.934                 10.735               -123.378
 RC180  Fr= 1--       0.457                  0.313                 -0.394
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.09   0.04   0.05    -0.03   0.02  -0.01
     2   6    -0.00   0.02   0.00    -0.04   0.05   0.10     0.00   0.05  -0.12
     3   6    -0.02  -0.00   0.00    -0.11  -0.00  -0.10    -0.03  -0.08   0.16
     4   6     0.00  -0.02   0.01    -0.03  -0.07  -0.10    -0.00  -0.06  -0.04
     5   6     0.00  -0.01   0.01    -0.03  -0.06  -0.12     0.03  -0.09   0.06
     6   6     0.01   0.00   0.01     0.00   0.01  -0.07     0.06  -0.05   0.11
     7   6     0.01  -0.01   0.01     0.03  -0.03   0.00    -0.00   0.02  -0.15
     8   6    -0.01  -0.00  -0.00     0.05  -0.02   0.14     0.07   0.02   0.06
     9   6    -0.01   0.00  -0.02    -0.05  -0.06   0.02    -0.01  -0.03  -0.01
    10   1    -0.02   0.03  -0.02    -0.11   0.06   0.15    -0.06   0.06  -0.05
    11   1    -0.00   0.03  -0.00    -0.01   0.07   0.24    -0.00   0.13  -0.29
    12   1    -0.03  -0.00  -0.00    -0.20  -0.02  -0.13    -0.07  -0.12   0.29
    13   1     0.03   0.01   0.01     0.09   0.03  -0.07     0.13  -0.05   0.20
    14   1     0.02   0.00   0.01     0.11  -0.01   0.01     0.04   0.04  -0.15
    15   6     0.02  -0.00   0.00     0.19   0.10   0.01    -0.08   0.14  -0.07
    16   1    -0.01  -0.02  -0.01     0.27   0.06   0.16     0.36   0.17   0.10
    17   1    -0.01   0.01  -0.01    -0.02  -0.07   0.34    -0.01  -0.10   0.33
    18   1    -0.03  -0.01  -0.05     0.00  -0.05   0.05    -0.11  -0.09  -0.11
    19   1    -0.00   0.04  -0.03    -0.19  -0.10   0.07    -0.03   0.12  -0.03
    20   1    -0.46  -0.30   0.09     0.30   0.21  -0.04    -0.18   0.28  -0.18
    21   1     0.10   0.51   0.23     0.18   0.19  -0.15    -0.07   0.14   0.05
    22   1     0.44  -0.24  -0.33     0.30   0.09   0.21    -0.09   0.16   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    413.0301               446.7862               536.0813
 Red. masses --      2.7330                 2.7308                 4.7337
 Frc consts  --      0.2747                 0.3212                 0.8015
 IR Inten    --      0.2925                 6.6577                 0.5122
 RamAct Fr= 1--      0.5241                 0.7294                11.2639
  Dep-P Fr= 1--      0.7444                 0.3775                 0.1964
  Dep-U Fr= 1--      0.8535                 0.5481                 0.3283
 Alpha2 Fr= 1--      0.0001                 0.0058                 0.1544
 Beta2  Fr= 1--      0.0745                 0.0666                 0.6163
 AlphaG Fr= 1--     -0.0006                 0.0087                 0.0024
 Gamma2 Fr= 1--      0.3349                 0.4058                -1.2482
 Delta2 Fr= 1--      0.0294                 0.2134                -0.0891
 Raman1 Fr= 1--       2.096                  2.918                 45.056
 ROA1   Fr= 1--      33.091                 45.789               -122.681
 CID1   Fr= 1--      15.785                 15.694                 -2.723
 Raman2 Fr= 1--       0.895                  0.800                  7.396
 ROA2   Fr= 1--       7.802                  8.033                -29.245
 CID2   Fr= 1--       8.722                 10.047                 -3.954
 Raman3 Fr= 1--       1.789                  1.599                 14.791
 ROA3   Fr= 1--      33.091                 45.789               -122.681
 CID3   Fr= 1--      18.496                 28.636                 -8.294
 RC180  Fr= 1--       0.707                  0.096                 -0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.09  -0.02     0.02  -0.03   0.13     0.20   0.06  -0.11
     2   6    -0.03  -0.10  -0.01     0.04   0.00  -0.00     0.25   0.04   0.08
     3   6     0.03   0.05   0.00    -0.02   0.01  -0.16     0.13  -0.13   0.01
     4   6    -0.07   0.12   0.05     0.00  -0.04   0.09    -0.05  -0.04   0.07
     5   6    -0.02   0.14   0.03     0.05  -0.07   0.24    -0.03   0.01  -0.09
     6   6    -0.10   0.01   0.01     0.03   0.03  -0.15     0.10   0.16  -0.02
     7   6    -0.13  -0.04  -0.03    -0.03  -0.00  -0.05    -0.19  -0.05   0.00
     8   6     0.09  -0.15   0.03    -0.01   0.00   0.01    -0.19  -0.08   0.10
     9   6     0.15  -0.01   0.00    -0.01   0.02   0.01    -0.15  -0.03   0.02
    10   1     0.05  -0.13  -0.04     0.01  -0.03   0.20     0.09   0.19  -0.18
    11   1    -0.05  -0.15  -0.01     0.03   0.04  -0.10     0.23  -0.10   0.17
    12   1     0.17   0.09  -0.02    -0.05   0.08  -0.49     0.18  -0.12   0.02
    13   1    -0.25  -0.03   0.01     0.00   0.10  -0.51     0.13   0.16  -0.00
    14   1    -0.27  -0.10  -0.03    -0.07   0.01  -0.07    -0.27  -0.03  -0.04
    15   6     0.01   0.09  -0.05    -0.05   0.04  -0.04    -0.05   0.06  -0.07
    16   1     0.31  -0.07   0.05     0.06   0.05   0.03    -0.12  -0.03   0.11
    17   1     0.06  -0.35   0.20    -0.02  -0.05   0.07    -0.20  -0.15   0.15
    18   1     0.32   0.01   0.00    -0.20  -0.11  -0.20    -0.09  -0.04  -0.01
    19   1     0.17  -0.05   0.00     0.11   0.31  -0.07    -0.27  -0.03   0.05
    20   1    -0.03   0.14  -0.09    -0.11   0.10  -0.08    -0.01   0.13  -0.10
    21   1     0.03   0.33  -0.13    -0.05   0.05   0.03    -0.05   0.21  -0.19
    22   1     0.24   0.02   0.07    -0.06   0.06   0.01     0.11   0.01   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    555.3319               599.6320               668.6377
 Red. masses --      3.3375                 4.7828                 2.6843
 Frc consts  --      0.6064                 1.0132                 0.7071
 IR Inten    --      2.2008                 0.8571                 0.3238
 RamAct Fr= 1--      0.7931                 3.3493                 0.3886
  Dep-P Fr= 1--      0.7346                 0.7212                 0.1048
  Dep-U Fr= 1--      0.8470                 0.8380                 0.1896
 Alpha2 Fr= 1--      0.0002                 0.0017                 0.0067
 Beta2  Fr= 1--      0.1120                 0.4678                 0.0123
 AlphaG Fr= 1--      0.0029                 0.0053                -0.0113
 Gamma2 Fr= 1--      0.7189                -0.1242                 0.1781
 Delta2 Fr= 1--      0.0945                 0.2348                -0.0656
 Raman1 Fr= 1--       3.173                 13.397                  1.554
 ROA1   Fr= 1--      72.037                 -4.407                 15.000
 CID1   Fr= 1--      22.706                 -0.329                  9.650
 Raman2 Fr= 1--       1.344                  5.614                  0.147
 ROA2   Fr= 1--      16.497                 -4.858                  4.799
 CID2   Fr= 1--      12.278                 -0.865                 32.559
 Raman3 Fr= 1--       2.687                 11.227                  0.295
 ROA3   Fr= 1--      72.037                 -4.407                 15.000
 CID3   Fr= 1--      26.808                 -0.393                 50.885
 RC180  Fr= 1--       0.694                  0.676                 -0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.17    -0.18  -0.16  -0.01     0.03  -0.04   0.08
     2   6    -0.01  -0.06   0.21     0.17  -0.07  -0.05     0.07   0.03  -0.07
     3   6    -0.05  -0.03   0.09    -0.17  -0.11  -0.01    -0.02  -0.13  -0.09
     4   6     0.02  -0.07   0.23    -0.13  -0.02  -0.05    -0.09  -0.03   0.06
     5   6     0.03  -0.02  -0.05     0.17   0.06  -0.06    -0.06  -0.01  -0.01
     6   6     0.01  -0.03  -0.14     0.20  -0.09  -0.03    -0.01   0.09   0.10
     7   6     0.03   0.07  -0.03    -0.14   0.06   0.11    -0.05   0.14   0.10
     8   6     0.09   0.08  -0.04    -0.05   0.08   0.06     0.10   0.08  -0.09
     9   6     0.05  -0.01  -0.02     0.13   0.21   0.05     0.01  -0.10  -0.10
    10   1    -0.12   0.09  -0.48    -0.29  -0.05   0.12    -0.08   0.07   0.08
    11   1     0.02  -0.02   0.35     0.24   0.14   0.07     0.03  -0.01  -0.21
    12   1    -0.09   0.00  -0.08    -0.06  -0.11   0.11    -0.03  -0.10  -0.21
    13   1     0.00   0.01  -0.32     0.10  -0.15   0.10    -0.04   0.10   0.06
    14   1    -0.07   0.07  -0.05    -0.04   0.12   0.09    -0.07   0.04   0.16
    15   6    -0.06   0.04  -0.05    -0.01   0.01  -0.00    -0.00   0.01   0.02
    16   1     0.21   0.13  -0.03    -0.26  -0.00   0.03     0.41   0.02  -0.10
    17   1     0.05   0.04   0.08     0.06  -0.03  -0.19    -0.01   0.06   0.22
    18   1     0.06   0.09   0.19     0.10   0.14  -0.08    -0.01   0.07   0.26
    19   1     0.03  -0.23   0.03     0.08   0.32   0.04     0.10  -0.45  -0.05
    20   1    -0.16   0.02  -0.06     0.16  -0.10   0.10     0.13  -0.22   0.20
    21   1    -0.05  -0.06   0.12    -0.03   0.06  -0.24    -0.02  -0.06  -0.13
    22   1    -0.18   0.08  -0.13     0.08  -0.03  -0.04    -0.04  -0.01  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    739.3819               763.2320               783.9892
 Red. masses --      2.6396                 1.5147                 2.5628
 Frc consts  --      0.8502                 0.5199                 0.9281
 IR Inten    --      9.8551                43.4738                 4.6059
 RamAct Fr= 1--      4.9144                 7.5908                17.1699
  Dep-P Fr= 1--      0.0665                 0.0755                 0.0557
  Dep-U Fr= 1--      0.1246                 0.1404                 0.1055
 Alpha2 Fr= 1--      0.0933                 0.1411                 0.3346
 Beta2  Fr= 1--      0.1021                 0.1776                 0.3020
 AlphaG Fr= 1--      0.0181                 0.0068                 0.0509
 Gamma2 Fr= 1--      0.1125                -0.8972                -0.9962
 Delta2 Fr= 1--      0.1291                -0.1479                -0.0742
 Raman1 Fr= 1--      19.658                 30.363                 68.680
 ROA1   Fr= 1--      14.926                -90.867                -98.012
 CID1   Fr= 1--       0.759                 -2.993                 -1.427
 Raman2 Fr= 1--       1.225                  2.131                  3.624
 ROA2   Fr= 1--       1.666                -20.351                -23.316
 CID2   Fr= 1--       1.360                 -9.549                 -6.434
 Raman3 Fr= 1--       2.450                  4.262                  7.248
 ROA3   Fr= 1--      14.926                -90.867                -98.012
 CID3   Fr= 1--       6.092                -21.318                -13.522
 RC180  Fr= 1--      -0.751                 -0.719                 -0.789
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.14     0.00   0.03  -0.03     0.03   0.05   0.00
     2   6     0.00   0.00   0.06    -0.03   0.02  -0.09    -0.06  -0.00   0.07
     3   6    -0.00  -0.14   0.02     0.01   0.08  -0.06     0.04   0.08   0.05
     4   6    -0.06  -0.01  -0.14     0.03  -0.00   0.10     0.03   0.04  -0.11
     5   6    -0.05  -0.02   0.16     0.02  -0.04  -0.01     0.03  -0.09   0.03
     6   6    -0.10   0.14  -0.08     0.03  -0.06  -0.04     0.04  -0.11  -0.03
     7   6     0.04   0.05   0.01    -0.03   0.03   0.04    -0.07   0.14   0.14
     8   6     0.06  -0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.06   0.03
     9   6     0.07  -0.03   0.04    -0.02  -0.04  -0.01     0.01  -0.11  -0.02
    10   1    -0.02   0.01   0.29     0.11  -0.15   0.55     0.11   0.01  -0.25
    11   1    -0.00  -0.20   0.40     0.05  -0.07   0.55    -0.07   0.12  -0.24
    12   1     0.00  -0.25   0.46     0.04   0.01   0.26     0.01   0.08   0.04
    13   1    -0.12   0.11   0.07     0.13  -0.14   0.38     0.13  -0.04  -0.27
    14   1     0.14   0.05   0.04    -0.12  -0.00   0.03     0.05   0.07   0.22
    15   6     0.01   0.00   0.01    -0.03   0.03  -0.03    -0.07   0.09  -0.05
    16   1    -0.06  -0.01  -0.01     0.07  -0.02  -0.01    -0.11  -0.18   0.01
    17   1     0.11   0.00  -0.13    -0.03  -0.02   0.06     0.03  -0.07  -0.07
    18   1    -0.06  -0.16  -0.21    -0.07  -0.02   0.03    -0.04  -0.17  -0.12
    19   1     0.18   0.28  -0.06     0.01  -0.07  -0.01     0.01   0.01  -0.04
    20   1     0.06  -0.07   0.07    -0.01  -0.02   0.01     0.22  -0.22   0.20
    21   1     0.01  -0.04  -0.03    -0.03   0.01  -0.05    -0.11   0.08  -0.45
    22   1    -0.01   0.00  -0.08    -0.04   0.02  -0.08    -0.01   0.02  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    787.9166               852.6370               879.7097
 Red. masses --      2.2720                 3.7913                 1.3434
 Frc consts  --      0.8310                 1.6239                 0.6125
 IR Inten    --      1.4639                 0.5249                 0.0134
 RamAct Fr= 1--      0.8420                 7.0858                 0.9175
  Dep-P Fr= 1--      0.5277                 0.0872                 0.6948
  Dep-U Fr= 1--      0.6909                 0.1603                 0.8199
 Alpha2 Fr= 1--      0.0036                 0.1280                 0.0009
 Beta2  Fr= 1--      0.0969                 0.1893                 0.1254
 AlphaG Fr= 1--     -0.0100                -0.0038                -0.0069
 Gamma2 Fr= 1--      1.5651                 0.0903                 0.0912
 Delta2 Fr= 1--      0.5495                 0.2298                -0.0251
 Raman1 Fr= 1--       3.368                 28.343                  3.670
 ROA1   Fr= 1--     167.831                 16.027                  7.953
 CID1   Fr= 1--      49.832                  0.565                  2.167
 Raman2 Fr= 1--       1.163                  2.272                  1.504
 ROA2   Fr= 1--      33.166                  0.330                  2.390
 CID2   Fr= 1--      28.509                  0.145                  1.588
 Raman3 Fr= 1--       2.327                  4.544                  3.009
 ROA3   Fr= 1--     167.831                 16.027                  7.953
 CID3   Fr= 1--      72.132                  3.527                  2.643
 RC180  Fr= 1--       0.382                 -0.679                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.06     0.15   0.14   0.02     0.01  -0.02   0.06
     2   6     0.07  -0.04   0.04    -0.19   0.06   0.03     0.00   0.01  -0.05
     3   6    -0.00   0.09   0.06     0.07  -0.14  -0.04     0.01  -0.01   0.09
     4   6    -0.02   0.08  -0.12     0.03  -0.11  -0.03    -0.01   0.02  -0.04
     5   6     0.04  -0.00   0.12     0.02  -0.07  -0.02     0.00  -0.01   0.02
     6   6     0.06  -0.03  -0.05    -0.04  -0.09  -0.02    -0.01   0.02  -0.10
     7   6    -0.07  -0.06  -0.03    -0.16  -0.06   0.01    -0.02   0.01  -0.01
     8   6    -0.03   0.06  -0.09     0.03   0.08  -0.06     0.02   0.01  -0.02
     9   6    -0.09  -0.00  -0.03     0.09   0.24   0.04    -0.01  -0.02   0.02
    10   1    -0.00  -0.06   0.03     0.19   0.09  -0.02    -0.03   0.08  -0.40
    11   1     0.09   0.07  -0.00    -0.24  -0.07  -0.01     0.04  -0.06   0.31
    12   1     0.12   0.08   0.24    -0.17  -0.19  -0.02    -0.04   0.13  -0.53
    13   1     0.02  -0.01  -0.20     0.15  -0.05  -0.01     0.06  -0.12   0.59
    14   1    -0.08  -0.15   0.03    -0.17  -0.13   0.05    -0.00  -0.04   0.03
    15   6     0.03  -0.07   0.09    -0.03  -0.04   0.04     0.00  -0.01   0.02
    16   1     0.44   0.11  -0.07     0.24   0.09  -0.06     0.04   0.05  -0.01
    17   1    -0.20   0.01   0.37     0.02  -0.21   0.07     0.01  -0.02   0.01
    18   1    -0.27   0.13   0.28     0.02   0.32   0.22    -0.11  -0.06  -0.05
    19   1     0.13  -0.27  -0.03     0.21   0.03   0.05     0.03   0.08  -0.01
    20   1     0.09  -0.05   0.09     0.12  -0.01   0.05     0.05  -0.04   0.06
    21   1     0.03   0.01  -0.01    -0.04   0.15  -0.23    -0.00   0.01  -0.05
    22   1     0.13  -0.10   0.16     0.19  -0.12   0.19     0.03  -0.02   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    908.7120               936.6976               962.1341
 Red. masses --      1.9451                 1.3796                 1.3811
 Frc consts  --      0.9463                 0.7132                 0.7533
 IR Inten    --      0.1868                 0.7735                 0.2647
 RamAct Fr= 1--      1.5020                 0.1076                 1.2661
  Dep-P Fr= 1--      0.7481                 0.2562                 0.3994
  Dep-U Fr= 1--      0.8559                 0.4079                 0.5708
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0094
 Beta2  Fr= 1--      0.2143                 0.0073                 0.1205
 AlphaG Fr= 1--      0.0022                 0.0056                 0.0057
 Gamma2 Fr= 1--      0.0947                 0.1469                 0.1016
 Delta2 Fr= 1--     -0.0968                -0.0545                 0.2626
 Raman1 Fr= 1--       6.008                  0.430                  5.065
 ROA1   Fr= 1--       5.994                 12.362                 18.156
 CID1   Fr= 1--       0.998                 28.726                  3.585
 Raman2 Fr= 1--       2.571                  0.088                  1.445
 ROA2   Fr= 1--       3.048                  3.962                  0.337
 CID2   Fr= 1--       1.185                 45.146                  0.233
 Raman3 Fr= 1--       5.142                  0.176                  2.891
 ROA3   Fr= 1--       5.994                 12.362                 18.156
 CID3   Fr= 1--       1.166                 70.426                  6.280
 RC180  Fr= 1--       0.712                 -0.184                  0.142
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.00  -0.01   0.06    -0.01   0.02  -0.08
     2   6     0.03  -0.00   0.02     0.00  -0.01   0.07     0.02  -0.02   0.07
     3   6    -0.01   0.04  -0.03    -0.01   0.02  -0.11     0.00  -0.01   0.05
     4   6    -0.03   0.03   0.03     0.00  -0.01   0.03     0.01  -0.00   0.01
     5   6    -0.02  -0.03  -0.05     0.00   0.00   0.01    -0.01   0.01  -0.03
     6   6     0.00  -0.00   0.01    -0.01   0.02  -0.09    -0.00   0.01  -0.03
     7   6    -0.07  -0.04  -0.00     0.01   0.01   0.00     0.02   0.01  -0.01
     8   6     0.21   0.08  -0.04    -0.04  -0.01  -0.02     0.02  -0.06  -0.05
     9   6    -0.06  -0.06   0.07     0.01   0.00   0.01    -0.05   0.05   0.06
    10   1     0.01  -0.01  -0.04    -0.04   0.08  -0.34     0.03  -0.10   0.54
    11   1     0.01   0.04  -0.17    -0.04   0.09  -0.40    -0.03   0.11  -0.49
    12   1     0.08   0.01   0.19     0.05  -0.13   0.55    -0.05   0.07  -0.35
    13   1     0.03   0.00  -0.00     0.06  -0.11   0.51     0.02  -0.05   0.26
    14   1    -0.31  -0.13   0.00    -0.03   0.00  -0.00     0.00  -0.13   0.08
    15   6    -0.03  -0.04   0.02     0.02   0.01  -0.01     0.02   0.03   0.01
    16   1    -0.16   0.16  -0.03     0.08   0.02  -0.00     0.09   0.03  -0.03
    17   1     0.32   0.12  -0.35    -0.07  -0.06   0.09     0.03  -0.22  -0.00
    18   1    -0.31  -0.19  -0.14    -0.01  -0.01  -0.01    -0.09   0.03   0.01
    19   1    -0.30   0.25   0.07     0.09   0.03  -0.02    -0.11   0.09   0.06
    20   1     0.04   0.07  -0.04    -0.05  -0.02   0.00     0.01  -0.12   0.10
    21   1    -0.02   0.14  -0.10     0.02  -0.08   0.10     0.01  -0.10   0.02
    22   1     0.17  -0.10   0.22    -0.08   0.04  -0.08    -0.10   0.05  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    963.4952               974.4968              1034.1675
 Red. masses --      1.6491                 2.0352                 1.7264
 Frc consts  --      0.9020                 1.1387                 1.0878
 IR Inten    --      0.5368                 0.6672                 2.2682
 RamAct Fr= 1--      2.6992                 5.0028                 7.7741
  Dep-P Fr= 1--      0.3286                 0.7108                 0.1795
  Dep-U Fr= 1--      0.4946                 0.8309                 0.3043
 Alpha2 Fr= 1--      0.0254                 0.0034                 0.1114
 Beta2  Fr= 1--      0.2225                 0.6928                 0.3943
 AlphaG Fr= 1--     -0.0582                -0.0132                 0.1646
 Gamma2 Fr= 1--      0.9810                -1.2160                -1.0782
 Delta2 Fr= 1--     -0.3715                -1.0636                -0.7360
 Raman1 Fr= 1--      10.797                 20.011                 31.096
 ROA1   Fr= 1--      82.284               -150.768               -127.057
 CID1   Fr= 1--       7.621                 -7.534                 -4.086
 Raman2 Fr= 1--       2.670                  8.314                  4.732
 ROA2   Fr= 1--      26.516                -20.674                -19.988
 CID2   Fr= 1--       9.930                 -2.487                 -4.224
 Raman3 Fr= 1--       5.340                 16.628                  9.464
 ROA3   Fr= 1--      82.284               -150.768               -127.057
 CID3   Fr= 1--      15.408                 -9.067                -13.425
 RC180  Fr= 1--      -0.011                  0.662                 -0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05     0.03   0.02  -0.01     0.03   0.04   0.01
     2   6     0.02   0.01  -0.06    -0.03   0.01  -0.00     0.00   0.02   0.00
     3   6    -0.01   0.00  -0.03     0.01   0.00   0.00     0.00  -0.03   0.00
     4   6     0.01  -0.00  -0.00    -0.04   0.01   0.02    -0.07   0.05  -0.03
     5   6    -0.01   0.01  -0.02     0.00  -0.00  -0.07    -0.01  -0.02   0.04
     6   6     0.00  -0.00   0.05     0.02  -0.04   0.03     0.02  -0.08  -0.03
     7   6     0.03   0.00  -0.01    -0.08   0.09  -0.10    -0.04   0.13   0.01
     8   6     0.04  -0.11  -0.08    -0.10   0.05  -0.03     0.05  -0.08   0.02
     9   6    -0.08   0.09   0.09     0.09  -0.11   0.05    -0.05   0.03  -0.03
    10   1    -0.07   0.09  -0.31     0.07  -0.02   0.03    -0.01   0.09  -0.01
    11   1     0.06  -0.07   0.37    -0.02  -0.00   0.03     0.02   0.06   0.04
    12   1     0.00  -0.05   0.21     0.02   0.02  -0.03     0.01  -0.02  -0.03
    13   1    -0.05   0.07  -0.31     0.03   0.01  -0.17     0.05  -0.08  -0.02
    14   1     0.03  -0.21   0.13    -0.18   0.05  -0.10    -0.26   0.38  -0.21
    15   6     0.02   0.06   0.00     0.09  -0.03   0.12     0.09  -0.05  -0.00
    16   1     0.15   0.02  -0.05     0.05   0.48   0.07    -0.06  -0.29  -0.03
    17   1     0.05  -0.36  -0.00    -0.12  -0.23   0.13     0.13  -0.20  -0.17
    18   1    -0.17   0.06   0.04     0.11  -0.30  -0.35    -0.09   0.12   0.15
    19   1    -0.15   0.14   0.10     0.04   0.30  -0.02    -0.10  -0.14   0.02
    20   1     0.03  -0.18   0.16     0.01  -0.15   0.18    -0.22   0.16  -0.20
    21   1     0.00  -0.16   0.01     0.08  -0.20   0.26     0.13  -0.11   0.47
    22   1    -0.15   0.08  -0.33    -0.08   0.01  -0.07    -0.11   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1050.7923              1089.0788              1106.4114
 Red. masses --      2.2062                 1.8019                 1.6694
 Frc consts  --      1.4353                 1.2592                 1.2041
 IR Inten    --      3.2533                 3.2263                 0.9320
 RamAct Fr= 1--     33.4394                 5.9348                 0.2713
  Dep-P Fr= 1--      0.0425                 0.3933                 0.3401
  Dep-U Fr= 1--      0.0815                 0.5646                 0.5076
 Alpha2 Fr= 1--      0.6724                 0.0450                 0.0025
 Beta2  Fr= 1--      0.4544                 0.5585                 0.0230
 AlphaG Fr= 1--      0.0048                -0.0206                -0.0001
 Gamma2 Fr= 1--      0.4523                -0.4380                -0.4816
 Delta2 Fr= 1--      0.2432                 1.4447                -0.3562
 Raman1 Fr= 1--     133.758                 23.739                  1.085
 ROA1   Fr= 1--      51.206                  4.184                -57.635
 CID1   Fr= 1--       0.383                  0.176                -53.111
 Raman2 Fr= 1--       5.453                  6.701                  0.275
 ROA2   Fr= 1--       8.911                -22.068                 -8.710
 CID2   Fr= 1--       1.634                 -3.293                -31.626
 Raman3 Fr= 1--      10.906                 13.403                  0.551
 ROA3   Fr= 1--      51.206                  4.184                -57.635
 CID3   Fr= 1--       4.695                  0.312               -104.635
 RC180  Fr= 1--      -0.837                  0.129                  0.015
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.16  -0.02     0.02   0.02  -0.00     0.01   0.03   0.01
     2   6    -0.16   0.09   0.04    -0.02   0.01   0.00    -0.03   0.03   0.01
     3   6     0.11  -0.07  -0.02     0.01  -0.04   0.01     0.03  -0.07  -0.02
     4   6     0.02   0.02  -0.00    -0.04   0.04  -0.05    -0.05   0.05  -0.00
     5   6     0.03  -0.01  -0.01     0.02   0.03  -0.04     0.02   0.04   0.08
     6   6     0.07   0.11   0.02     0.01  -0.03   0.01     0.02  -0.07  -0.04
     7   6    -0.01   0.02   0.00     0.01  -0.10   0.15    -0.02  -0.07  -0.06
     8   6    -0.01  -0.02  -0.00    -0.01   0.05  -0.03     0.04   0.01   0.07
     9   6    -0.02   0.00   0.00     0.02  -0.03   0.06    -0.03  -0.00  -0.09
    10   1     0.01  -0.30  -0.06     0.00   0.04   0.01    -0.08   0.13   0.02
    11   1    -0.12   0.29   0.08    -0.02   0.02   0.01     0.02   0.17   0.05
    12   1     0.57   0.04  -0.06     0.03  -0.00  -0.10     0.17  -0.05   0.01
    13   1     0.53   0.23  -0.01    -0.02  -0.02  -0.09    -0.01  -0.10   0.04
    14   1    -0.06   0.04  -0.02    -0.31  -0.23   0.15    -0.15  -0.34   0.08
    15   6     0.00  -0.01   0.00     0.05   0.04  -0.12     0.03   0.06   0.03
    16   1     0.01  -0.03  -0.01     0.13  -0.06  -0.05    -0.23   0.22   0.11
    17   1    -0.01  -0.05   0.00    -0.14   0.36   0.19     0.07   0.27  -0.10
    18   1    -0.08   0.00   0.02    -0.21  -0.12  -0.07     0.37   0.09   0.02
    19   1    -0.02  -0.01   0.01     0.29   0.17  -0.05    -0.33  -0.19   0.03
    20   1    -0.02   0.02  -0.02    -0.28   0.10  -0.22     0.02  -0.19   0.18
    21   1     0.01   0.01   0.03     0.07  -0.14   0.30     0.01  -0.17   0.03
    22   1     0.01  -0.00   0.04    -0.24   0.16  -0.14    -0.12   0.07  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1119.8222              1182.2712              1183.3276
 Red. masses --      1.8852                 1.1352                 1.9750
 Frc consts  --      1.3929                 0.9349                 1.6294
 IR Inten    --      1.6742                 0.1317                 1.1567
 RamAct Fr= 1--      1.5670                 5.4558                 1.4269
  Dep-P Fr= 1--      0.4866                 0.4284                 0.4187
  Dep-U Fr= 1--      0.6546                 0.5998                 0.5903
 Alpha2 Fr= 1--      0.0082                 0.0364                 0.0099
 Beta2  Fr= 1--      0.1710                 0.5454                 0.1404
 AlphaG Fr= 1--      0.0097                -0.0303                -0.0094
 Gamma2 Fr= 1--     -0.2324                -0.5284                 0.7777
 Delta2 Fr= 1--      0.0928                -0.0549                 0.2622
 Raman1 Fr= 1--       6.268                 21.823                  5.707
 ROA1   Fr= 1--     -19.337                -52.486                 83.047
 CID1   Fr= 1--      -3.085                 -2.405                 14.551
 Raman2 Fr= 1--       2.052                  6.545                  1.684
 ROA2   Fr= 1--      -6.319                -12.244                 16.566
 CID2   Fr= 1--      -3.080                 -1.871                  9.835
 Raman3 Fr= 1--       4.103                 13.090                  3.369
 ROA3   Fr= 1--     -19.337                -52.486                 83.047
 CID3   Fr= 1--      -4.713                 -4.010                 24.651
 RC180  Fr= 1--       0.309                  0.200                  0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.09  -0.01   0.01
     2   6    -0.00  -0.05  -0.01     0.01   0.06   0.01     0.08   0.01  -0.01
     3   6    -0.06   0.11   0.03    -0.02  -0.02  -0.00     0.07   0.04   0.01
     4   6     0.00  -0.06  -0.04     0.03  -0.01  -0.01     0.13  -0.05  -0.05
     5   6     0.00  -0.09   0.02     0.01   0.00   0.01    -0.09  -0.12   0.01
     6   6     0.01   0.12   0.02    -0.03   0.01   0.00    -0.07   0.01   0.01
     7   6    -0.08  -0.05   0.02    -0.01   0.01   0.01    -0.04  -0.01   0.08
     8   6     0.01   0.05   0.06    -0.00   0.00  -0.00    -0.02   0.07  -0.01
     9   6     0.04   0.04  -0.07    -0.00  -0.00  -0.01     0.05   0.02  -0.02
    10   1     0.29  -0.31  -0.11     0.37  -0.41  -0.13    -0.37   0.28   0.09
    11   1    -0.11  -0.41  -0.06     0.17   0.59   0.11     0.15   0.23   0.04
    12   1    -0.25   0.07   0.03    -0.33  -0.09   0.01     0.37   0.12  -0.03
    13   1     0.29   0.19   0.03    -0.37  -0.08   0.03    -0.28  -0.05   0.03
    14   1    -0.15  -0.08   0.02    -0.08  -0.02   0.01    -0.21  -0.06   0.07
    15   6     0.06   0.04  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.04
    16   1    -0.13   0.07   0.06    -0.01   0.03   0.01     0.01   0.20   0.02
    17   1     0.11  -0.15  -0.13     0.00  -0.04  -0.00     0.06  -0.39  -0.05
    18   1     0.01   0.11   0.10     0.01   0.00   0.01     0.28   0.04  -0.04
    19   1    -0.13  -0.13   0.01    -0.05  -0.01   0.01    -0.11  -0.01   0.02
    20   1    -0.12  -0.07   0.02    -0.01   0.01  -0.01    -0.10   0.07  -0.11
    21   1     0.06  -0.19   0.21     0.00   0.00   0.01     0.02   0.01   0.08
    22   1    -0.19   0.12  -0.20    -0.01   0.00   0.00    -0.05   0.03   0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1191.2683              1218.0960              1231.3432
 Red. masses --      1.3161                 1.4674                 2.0955
 Frc consts  --      1.1004                 1.2828                 1.8719
 IR Inten    --      1.0313                 0.3831                 1.0687
 RamAct Fr= 1--      3.4120                 3.2864                28.3671
  Dep-P Fr= 1--      0.7446                 0.5273                 0.1031
  Dep-U Fr= 1--      0.8536                 0.6905                 0.1870
 Alpha2 Fr= 1--      0.0003                 0.0142                 0.4929
 Beta2  Fr= 1--      0.4854                 0.3782                 0.8841
 AlphaG Fr= 1--      0.0044                -0.0640                -0.0569
 Gamma2 Fr= 1--      0.2763                 0.7180                 0.6440
 Delta2 Fr= 1--     -0.0276                -1.2658                 0.7775
 Raman1 Fr= 1--      13.648                 13.146                113.468
 ROA1   Fr= 1--      25.638                 28.425                 86.700
 CID1   Fr= 1--       1.879                  2.162                  0.764
 Raman2 Fr= 1--       5.825                  4.538                 10.609
 ROA2   Fr= 1--       6.852                 27.359                  9.236
 CID2   Fr= 1--       1.176                  6.029                  0.871
 Raman3 Fr= 1--      11.650                  9.076                 21.219
 ROA3   Fr= 1--      25.638                 28.425                 86.700
 CID3   Fr= 1--       2.201                  3.132                  4.086
 RC180  Fr= 1--       0.707                  0.381                 -0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.03   0.02   0.00    -0.07   0.00   0.01
     2   6     0.00  -0.02  -0.00    -0.04  -0.00   0.00    -0.07  -0.04  -0.00
     3   6    -0.02  -0.01   0.00    -0.01  -0.02  -0.00     0.04  -0.06  -0.01
     4   6     0.03   0.01  -0.02    -0.08   0.01   0.01     0.17  -0.01  -0.04
     5   6    -0.02  -0.00   0.04     0.06   0.06   0.04     0.15   0.11   0.02
     6   6     0.03   0.01  -0.01     0.03  -0.01  -0.01     0.03   0.06   0.01
     7   6     0.04   0.06   0.05     0.02  -0.04   0.09    -0.03   0.04   0.01
     8   6    -0.00  -0.04  -0.08    -0.03   0.04  -0.06    -0.02  -0.01   0.02
     9   6    -0.05   0.02   0.04     0.02  -0.04  -0.03    -0.02  -0.06  -0.04
    10   1     0.05  -0.06  -0.03     0.09  -0.04  -0.02    -0.24   0.17   0.06
    11   1    -0.02  -0.11  -0.01    -0.06  -0.06  -0.00    -0.16  -0.29  -0.04
    12   1    -0.28  -0.07   0.01     0.08   0.01  -0.01    -0.38  -0.17  -0.00
    13   1     0.29   0.07  -0.01    -0.07  -0.04   0.02    -0.33  -0.02   0.04
    14   1    -0.27  -0.09   0.07     0.52   0.10   0.13    -0.46  -0.05  -0.04
    15   6    -0.02  -0.04  -0.02    -0.01  -0.02  -0.06    -0.00  -0.01   0.01
    16   1     0.11   0.14  -0.03     0.05   0.33   0.01    -0.09   0.09   0.05
    17   1    -0.11   0.19   0.13     0.02  -0.42  -0.00    -0.01  -0.08   0.00
    18   1     0.65  -0.01  -0.18    -0.04  -0.03  -0.00    -0.34  -0.05   0.08
    19   1    -0.25   0.05   0.09    -0.51  -0.03   0.11    -0.22  -0.08   0.02
    20   1    -0.01   0.11  -0.11    -0.08   0.11  -0.16     0.00   0.01   0.00
    21   1    -0.00   0.12  -0.02     0.01   0.05   0.05    -0.00   0.04  -0.02
    22   1     0.05  -0.04   0.13    -0.01   0.00   0.10    -0.01  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1286.8336              1301.5566              1325.3364
 Red. masses --      1.3434                 2.3558                 1.5021
 Frc consts  --      1.3107                 2.3514                 1.5546
 IR Inten    --      1.4830                 0.2740                 0.4215
 RamAct Fr= 1--      4.3219                 8.5619                 2.5144
  Dep-P Fr= 1--      0.2644                 0.1550                 0.6953
  Dep-U Fr= 1--      0.4182                 0.2683                 0.8203
 Alpha2 Fr= 1--      0.0492                 0.1307                 0.0024
 Beta2  Fr= 1--      0.3012                 0.3829                 0.3437
 AlphaG Fr= 1--     -0.0783                 0.0320                -0.0043
 Gamma2 Fr= 1--      2.7847                -1.4885                 0.4207
 Delta2 Fr= 1--      0.0708                 0.2329                 0.7781
 Raman1 Fr= 1--      17.287                 34.248                 10.058
 ROA1   Fr= 1--     269.598               -135.444                 65.287
 CID1   Fr= 1--      15.595                 -3.955                  6.491
 Raman2 Fr= 1--       3.615                  4.595                  4.125
 ROA2   Fr= 1--      66.267                -37.588                  3.873
 CID2   Fr= 1--      18.332                 -8.181                  0.939
 Raman3 Fr= 1--       7.230                  9.190                  8.250
 ROA3   Fr= 1--     269.598               -135.444                 65.287
 CID3   Fr= 1--      37.291                -14.739                  7.914
 RC180  Fr= 1--      -0.164                 -0.463                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.01    -0.07   0.05   0.02    -0.02   0.04   0.01
     2   6     0.02   0.01  -0.00    -0.03  -0.09  -0.02    -0.02   0.01   0.00
     3   6    -0.02  -0.03  -0.00     0.10   0.01  -0.01    -0.02   0.02   0.01
     4   6    -0.01   0.09   0.01     0.04  -0.09  -0.01    -0.05  -0.10  -0.01
     5   6    -0.05   0.01  -0.01    -0.07   0.15   0.02     0.06  -0.02  -0.02
     6   6    -0.02  -0.04  -0.00     0.09   0.01  -0.00     0.04   0.04   0.00
     7   6     0.09   0.02   0.01    -0.12  -0.03   0.01     0.00   0.08   0.01
     8   6    -0.02   0.00   0.05     0.07   0.06   0.01     0.03  -0.09   0.01
     9   6    -0.02  -0.00  -0.05    -0.15  -0.05   0.02    -0.06   0.03  -0.01
    10   1    -0.05   0.05   0.02     0.02  -0.04  -0.01     0.18  -0.16  -0.05
    11   1     0.03   0.05   0.00     0.06   0.18   0.03    -0.07  -0.18  -0.03
    12   1    -0.22  -0.08   0.00    -0.27  -0.09   0.01     0.40   0.12  -0.01
    13   1     0.33   0.05  -0.03     0.10   0.01  -0.01    -0.43  -0.08   0.02
    14   1    -0.13  -0.29   0.17     0.40   0.14   0.04    -0.02  -0.17   0.17
    15   6    -0.03  -0.02  -0.02     0.04   0.00  -0.01     0.00  -0.03  -0.01
    16   1    -0.18   0.41   0.15    -0.04  -0.01  -0.02    -0.16   0.46   0.13
    17   1     0.10  -0.40  -0.11     0.17  -0.21  -0.14    -0.01   0.18   0.01
    18   1    -0.18   0.04   0.07     0.36  -0.06  -0.12     0.05   0.06   0.02
    19   1     0.40  -0.10  -0.14     0.51   0.01  -0.17     0.32  -0.06  -0.09
    20   1     0.03   0.08  -0.07    -0.11  -0.03  -0.02    -0.01   0.07  -0.08
    21   1    -0.01   0.08  -0.02     0.03  -0.07   0.08     0.02   0.08   0.04
    22   1     0.06  -0.04   0.06    -0.09   0.06   0.00    -0.01  -0.01   0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1348.3103              1353.5243              1362.6206
 Red. masses --      1.4479                 1.3919                 3.2013
 Frc consts  --      1.5508                 1.5024                 3.5020
 IR Inten    --      0.9234                 2.1239                 4.1432
 RamAct Fr= 1--      0.6299                 7.1159                 7.3379
  Dep-P Fr= 1--      0.4571                 0.6196                 0.0953
  Dep-U Fr= 1--      0.6274                 0.7651                 0.1741
 Alpha2 Fr= 1--      0.0038                 0.0170                 0.1300
 Beta2  Fr= 1--      0.0659                 0.9074                 0.2129
 AlphaG Fr= 1--      0.0070                -0.0431                -0.0250
 Gamma2 Fr= 1--     -0.2935                -1.0595                -0.8718
 Delta2 Fr= 1--     -0.1936                 0.2247                -0.4979
 Raman1 Fr= 1--       2.520                 28.464                 29.352
 ROA1   Fr= 1--     -34.372                -94.523                -99.629
 CID1   Fr= 1--     -13.642                 -3.321                 -3.394
 Raman2 Fr= 1--       0.790                 10.889                  2.555
 ROA2   Fr= 1--      -5.495                -27.226                -16.941
 CID2   Fr= 1--      -6.952                 -2.500                 -6.632
 Raman3 Fr= 1--       1.581                 21.777                  5.109
 ROA3   Fr= 1--     -34.372                -94.523                -99.629
 CID3   Fr= 1--     -21.744                 -4.340                -19.501
 RC180  Fr= 1--       0.255                  0.530                 -0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.02  -0.01  -0.00     0.08  -0.14  -0.04
     2   6     0.01  -0.03  -0.01    -0.00   0.03   0.01     0.02   0.15   0.03
     3   6     0.05   0.02  -0.00    -0.03  -0.01   0.00    -0.12  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.01   0.01  -0.01     0.13   0.14   0.04
     5   6    -0.06   0.00   0.00     0.03  -0.01  -0.00     0.16  -0.07  -0.03
     6   6    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.13  -0.02   0.01
     7   6    -0.07  -0.02   0.03     0.06  -0.11   0.08    -0.16  -0.00  -0.01
     8   6     0.03  -0.13  -0.03     0.01   0.00  -0.03     0.04  -0.01  -0.01
     9   6     0.07   0.03  -0.02    -0.06  -0.00   0.00    -0.12  -0.01   0.02
    10   1    -0.10   0.09   0.03     0.04  -0.03  -0.01    -0.25   0.20   0.07
    11   1     0.08   0.18   0.03    -0.04  -0.09  -0.02    -0.11  -0.24  -0.04
    12   1    -0.20  -0.04   0.01     0.10   0.02  -0.02    -0.03  -0.02   0.02
    13   1     0.22   0.06  -0.01    -0.06  -0.02  -0.00     0.01   0.02   0.01
    14   1     0.22   0.29  -0.10    -0.30   0.59  -0.50     0.57   0.04   0.16
    15   6     0.02  -0.00   0.01    -0.03   0.06   0.03     0.05  -0.01  -0.01
    16   1    -0.11   0.55   0.12     0.01   0.28   0.04    -0.08   0.06  -0.00
    17   1    -0.10   0.44   0.09     0.05  -0.15  -0.05     0.00   0.09   0.04
    18   1    -0.29   0.06   0.11     0.17   0.01  -0.03     0.33  -0.02  -0.10
    19   1    -0.08   0.01   0.03     0.19  -0.02  -0.06     0.27  -0.05  -0.07
    20   1    -0.08   0.02  -0.03     0.07  -0.08   0.13    -0.17  -0.02  -0.05
    21   1     0.01   0.02  -0.06    -0.06  -0.07  -0.13     0.04  -0.04   0.05
    22   1    -0.09   0.04  -0.05     0.06  -0.01  -0.13    -0.11   0.07   0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1409.0603              1484.0609              1492.4870
 Red. masses --      1.2192                 1.1113                 1.3594
 Frc consts  --      1.4262                 1.4421                 1.7841
 IR Inten    --      4.2781                 1.1644                 8.7316
 RamAct Fr= 1--      0.5250                13.0624                 3.8988
  Dep-P Fr= 1--      0.7481                 0.6175                 0.5857
  Dep-U Fr= 1--      0.8559                 0.7635                 0.7387
 Alpha2 Fr= 1--      0.0000                 0.0317                 0.0120
 Beta2  Fr= 1--      0.0749                 1.6623                 0.4800
 AlphaG Fr= 1--     -0.0006                -0.0200                -0.0144
 Gamma2 Fr= 1--      0.1852                 0.5356                -2.5433
 Delta2 Fr= 1--      0.1258                 1.8702                 2.6625
 Raman1 Fr= 1--       2.100                 52.250                 15.595
 ROA1   Fr= 1--      21.802                111.260               -158.952
 CID1   Fr= 1--      10.382                  2.129                -10.192
 Raman2 Fr= 1--       0.899                 19.947                  5.760
 ROA2   Fr= 1--       3.437                 -2.108                -82.338
 CID2   Fr= 1--       3.825                 -0.106                -14.295
 Raman3 Fr= 1--       1.798                 39.894                 11.520
 ROA3   Fr= 1--      21.802                111.260               -158.952
 CID3   Fr= 1--      12.129                  2.789                -13.798
 RC180  Fr= 1--       0.712                  0.527                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.01   0.01   0.00     0.08  -0.04  -0.02
     2   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.05  -0.06  -0.01
     3   6     0.01   0.00   0.00    -0.02  -0.01   0.00    -0.00   0.05   0.01
     4   6     0.01  -0.00  -0.00     0.02  -0.01  -0.00    -0.04  -0.04  -0.01
     5   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.01  -0.01
     6   6    -0.01   0.00   0.00    -0.01  -0.02  -0.00    -0.02   0.04   0.01
     7   6    -0.01   0.00   0.01    -0.00   0.01  -0.00    -0.01  -0.00   0.00
     8   6     0.01  -0.02  -0.01     0.04   0.01  -0.02    -0.00  -0.00   0.00
     9   6     0.00   0.01   0.00    -0.00  -0.06  -0.03    -0.02  -0.02  -0.00
    10   1    -0.03   0.02   0.01     0.06  -0.05  -0.02    -0.20   0.25   0.07
    11   1     0.01   0.02   0.00     0.00  -0.04  -0.01     0.05   0.29   0.06
    12   1    -0.05  -0.01  -0.00     0.08   0.01  -0.01    -0.05   0.05   0.02
    13   1     0.01   0.01   0.00     0.07   0.00  -0.00     0.02   0.06   0.01
    14   1     0.02   0.01   0.01    -0.01  -0.01   0.01    -0.01   0.01  -0.01
    15   6    -0.05   0.06  -0.11    -0.00   0.01   0.01    -0.04  -0.03   0.00
    16   1    -0.05   0.06   0.01    -0.38  -0.07  -0.04     0.04  -0.00   0.00
    17   1    -0.03   0.04   0.05    -0.11  -0.10   0.36     0.01   0.02  -0.04
    18   1    -0.02  -0.01  -0.02     0.10   0.23   0.48     0.09   0.08   0.15
    19   1    -0.00  -0.03   0.01    -0.03   0.53  -0.11     0.02   0.17  -0.04
    20   1     0.28  -0.40   0.28    -0.08   0.05  -0.04     0.52   0.27  -0.07
    21   1    -0.00  -0.25   0.51    -0.03  -0.18  -0.05     0.04   0.22   0.38
    22   1     0.34  -0.04   0.45     0.15  -0.06  -0.01    -0.02  -0.07  -0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1496.6105              1500.8527              1503.6563
 Red. masses --      1.2529                 1.2414                 1.1328
 Frc consts  --      1.6534                 1.6475                 1.5091
 IR Inten    --      3.5788                 5.7392                 1.6650
 RamAct Fr= 1--     10.3072                 3.0053                 6.3951
  Dep-P Fr= 1--      0.7064                 0.4808                 0.4020
  Dep-U Fr= 1--      0.8280                 0.6494                 0.5735
 Alpha2 Fr= 1--      0.0078                 0.0162                 0.0470
 Beta2  Fr= 1--      1.4223                 0.3253                 0.6113
 AlphaG Fr= 1--      0.0226                -0.0307                -0.0485
 Gamma2 Fr= 1--     -0.5607                 2.4912                 0.4122
 Delta2 Fr= 1--     -0.9619                 0.3325                -4.3255
 Raman1 Fr= 1--      41.229                 12.021                 25.581
 ROA1   Fr= 1--     -84.609                249.792                -98.847
 CID1   Fr= 1--      -2.052                 20.779                 -3.864
 Raman2 Fr= 1--      17.068                  3.903                  7.335
 ROA2   Fr= 1--      -5.761                 57.128                 44.497
 CID2   Fr= 1--      -0.338                 14.636                  6.066
 Raman3 Fr= 1--      34.136                  7.807                 14.671
 ROA3   Fr= 1--     -84.609                249.792                -98.847
 CID3   Fr= 1--      -2.479                 31.997                 -6.738
 RC180  Fr= 1--       0.656                  0.299                  0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.01    -0.06   0.01   0.01     0.03  -0.02  -0.01
     2   6     0.05   0.06   0.01     0.03   0.06   0.01    -0.02  -0.02  -0.00
     3   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     4   6     0.05   0.02   0.00     0.03   0.04   0.01    -0.02  -0.01  -0.00
     5   6    -0.04   0.02   0.01    -0.05  -0.01   0.00     0.03  -0.00  -0.01
     6   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     7   6    -0.01  -0.02  -0.00    -0.04  -0.00   0.01     0.01   0.02   0.00
     8   6    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.06  -0.02   0.03
     9   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.01  -0.04  -0.01
    10   1     0.15  -0.19  -0.06     0.09  -0.16  -0.04    -0.07   0.09   0.03
    11   1    -0.03  -0.23  -0.04    -0.06  -0.25  -0.05     0.01   0.09   0.02
    12   1     0.08  -0.03  -0.01    -0.05  -0.05  -0.01    -0.02   0.02   0.00
    13   1     0.03  -0.04  -0.01    -0.08  -0.06  -0.01    -0.01   0.02   0.01
    14   1     0.02   0.04  -0.04     0.10  -0.00   0.05    -0.02  -0.04   0.04
    15   6    -0.00  -0.03  -0.03    -0.03   0.01   0.02     0.01   0.02  -0.01
    16   1     0.18   0.03   0.02     0.23   0.06   0.03     0.50   0.10   0.05
    17   1     0.05   0.05  -0.17     0.06   0.09  -0.21     0.13   0.13  -0.48
    18   1     0.02   0.09   0.22    -0.01   0.00   0.01     0.09   0.14   0.30
    19   1    -0.02   0.24  -0.05     0.00   0.01   0.00    -0.00   0.33  -0.07
    20   1     0.33  -0.15   0.14     0.18   0.38  -0.19    -0.27  -0.12   0.02
    21   1     0.08   0.52   0.22    -0.03  -0.34   0.21    -0.03  -0.17  -0.18
    22   1    -0.40   0.17   0.04     0.40  -0.24  -0.37     0.08   0.01   0.20
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1517.2297              1628.6253              1650.3698
 Red. masses --      2.3418                 6.1958                 6.3413
 Frc consts  --      3.1762                 9.6826                10.1764
 IR Inten    --     17.5775                 0.8507                 0.8250
 RamAct Fr= 1--      1.3704                11.7892                19.9717
  Dep-P Fr= 1--      0.5740                 0.6729                 0.7442
  Dep-U Fr= 1--      0.7293                 0.8044                 0.8533
 Alpha2 Fr= 1--      0.0045                 0.0161                 0.0020
 Beta2  Fr= 1--      0.1666                 1.5806                 2.8405
 AlphaG Fr= 1--     -0.0226                -0.0479                -0.0007
 Gamma2 Fr= 1--     -2.4656                 0.7076                -0.9090
 Delta2 Fr= 1--      0.4025                -1.1085                 1.1369
 Raman1 Fr= 1--       5.482                 47.157                 79.887
 ROA1   Fr= 1--    -223.815                 32.464                -50.882
 CID1   Fr= 1--     -40.829                  0.688                 -0.637
 Raman2 Fr= 1--       1.999                 18.968                 34.086
 ROA2   Fr= 1--     -62.394                 25.851                -30.911
 CID2   Fr= 1--     -31.212                  1.363                 -0.907
 Raman3 Fr= 1--       3.998                 37.935                 68.171
 ROA3   Fr= 1--    -223.815                 32.464                -50.882
 CID3   Fr= 1--     -55.981                  0.856                 -0.746
 RC180  Fr= 1--       0.459                  0.609                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.15  -0.29  -0.08     0.19  -0.02  -0.02
     2   6    -0.06   0.05   0.02     0.00   0.32   0.07    -0.16  -0.11  -0.01
     3   6     0.16   0.04  -0.01    -0.00   0.16   0.03    -0.34  -0.09   0.01
     4   6    -0.11   0.11   0.04    -0.03  -0.30  -0.06     0.25   0.14   0.01
     5   6    -0.05  -0.16  -0.03    -0.17   0.25   0.07    -0.28  -0.00   0.03
     6   6     0.16   0.04  -0.01     0.08  -0.14  -0.04     0.34   0.08  -0.02
     7   6     0.03  -0.03  -0.01     0.02   0.03   0.00    -0.04  -0.02   0.00
     8   6     0.01   0.00  -0.01     0.02   0.00   0.00     0.00  -0.01  -0.00
     9   6     0.00   0.01  -0.00     0.03  -0.01  -0.01     0.04   0.00  -0.00
    10   1    -0.21   0.10   0.04    -0.36   0.23   0.09    -0.02   0.21   0.05
    11   1    -0.14  -0.19  -0.03    -0.22  -0.37  -0.06    -0.07   0.20   0.05
    12   1    -0.52  -0.12   0.03    -0.12   0.15   0.04     0.44   0.09  -0.02
    13   1    -0.51  -0.13   0.02    -0.05  -0.19  -0.04    -0.43  -0.12   0.02
    14   1     0.10   0.02  -0.02    -0.16  -0.02  -0.01     0.07   0.03  -0.01
    15   6     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
    16   1    -0.13  -0.02  -0.02    -0.02  -0.01   0.00    -0.01   0.03   0.01
    17   1    -0.04  -0.05   0.13     0.02   0.00  -0.00    -0.01   0.03   0.01
    18   1     0.14   0.11   0.14    -0.16  -0.06  -0.06    -0.07   0.00   0.02
    19   1     0.06   0.18  -0.04    -0.06  -0.08   0.03    -0.01   0.02  -0.00
    20   1    -0.03  -0.09   0.05    -0.01  -0.01   0.01     0.04  -0.00   0.00
    21   1     0.02   0.12  -0.05    -0.01  -0.00  -0.02     0.00  -0.01   0.06
    22   1    -0.13   0.07   0.07     0.01  -0.00   0.03     0.01  -0.00  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3017.7845              3026.5037              3031.6622
 Red. masses --      1.0695                 1.0359                 1.0798
 Frc consts  --      5.7387                 5.5903                 5.8471
 IR Inten    --     26.6820                31.5739                 7.1691
 RamAct Fr= 1--    118.6999               217.9027                66.1797
  Dep-P Fr= 1--      0.2160                 0.0152                 0.6227
  Dep-U Fr= 1--      0.3553                 0.0300                 0.7675
 Alpha2 Fr= 1--      1.5444                 4.6728                 0.1538
 Beta2  Fr= 1--      7.0286                 1.0894                 8.4657
 AlphaG Fr= 1--     -0.4679                -0.0228                -0.4837
 Gamma2 Fr= 1--     -3.8123                -2.5660                -6.4579
 Delta2 Fr= 1--     -6.3456                 0.1177                -4.6046
 Raman1 Fr= 1--     474.800                871.611                264.719
 ROA1   Fr= 1--    -569.041               -242.572               -767.304
 CID1   Fr= 1--      -1.198                 -0.278                 -2.899
 Raman2 Fr= 1--      84.343                 13.073                101.588
 ROA2   Fr= 1--     -40.730                -62.526               -118.153
 CID2   Fr= 1--      -0.483                 -4.783                 -1.163
 Raman3 Fr= 1--     168.686                 26.145                203.177
 ROA3   Fr= 1--    -569.041               -242.572               -767.304
 CID3   Fr= 1--      -3.373                 -9.278                 -3.777
 RC180  Fr= 1--      -0.289                 -0.940                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.02  -0.04  -0.06
     8   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.01  -0.01   0.02
     9   6    -0.02  -0.03  -0.06    -0.00  -0.01  -0.01     0.00   0.01   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    13   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.02   0.05   0.08     0.02  -0.05  -0.08    -0.19   0.48   0.71
    15   6     0.00  -0.00   0.01    -0.02   0.01  -0.04    -0.01   0.01   0.00
    16   1     0.00   0.02  -0.10     0.00  -0.01   0.06    -0.00   0.08  -0.36
    17   1    -0.06  -0.01  -0.02    -0.07  -0.01  -0.03     0.15   0.02   0.07
    18   1    -0.03   0.20  -0.12    -0.01   0.05  -0.03     0.01  -0.08   0.04
    19   1     0.24   0.15   0.90     0.04   0.02   0.15    -0.02  -0.01  -0.08
    20   1     0.02  -0.07  -0.10    -0.11   0.33   0.49     0.01  -0.02  -0.03
    21   1    -0.08   0.01   0.01     0.58  -0.06  -0.07     0.16  -0.01  -0.02
    22   1     0.03   0.07  -0.01    -0.20  -0.45   0.06    -0.06  -0.12   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3048.9135              3071.0655              3089.6775
 Red. masses --      1.0680                 1.0892                 1.1042
 Frc consts  --      5.8492                 6.0525                 6.2104
 IR Inten    --     39.8312                32.9652                27.1411
 RamAct Fr= 1--    175.3515               163.2765                67.3257
  Dep-P Fr= 1--      0.1272                 0.1732                 0.6815
  Dep-U Fr= 1--      0.2257                 0.2952                 0.8106
 Alpha2 Fr= 1--      2.8705                 2.3787                 0.0813
 Beta2  Fr= 1--      6.5967                 8.0335                 9.0954
 AlphaG Fr= 1--     -2.1141                 1.9287                -0.0770
 Gamma2 Fr= 1--      3.2325                16.9268               -16.0756
 Delta2 Fr= 1--     11.7279                 9.1189               -14.0435
 Raman1 Fr= 1--     701.406                653.106                269.303
 ROA1   Fr= 1--     685.610               1916.780              -1992.649
 CID1   Fr= 1--       0.977                  2.935                 -7.399
 Raman2 Fr= 1--      79.161                 96.402                109.144
 ROA2   Fr= 1--     -16.243                333.293               -273.466
 CID2   Fr= 1--      -0.205                  3.457                 -2.506
 Raman3 Fr= 1--     158.322                192.804                218.288
 ROA3   Fr= 1--     685.610               1916.780              -1992.649
 CID3   Fr= 1--       4.330                  9.942                 -9.129
 RC180  Fr= 1--      -0.549                 -0.410                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.01  -0.02  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.04   0.02  -0.05    -0.03  -0.01  -0.00    -0.05   0.00  -0.06
     9   6     0.00  -0.02   0.01     0.01  -0.06   0.05    -0.00   0.01  -0.02
    10   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    14   1    -0.08   0.22   0.32     0.01  -0.02  -0.02    -0.01   0.01   0.02
    15   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.02   0.03   0.00
    16   1     0.00  -0.16   0.72    -0.00   0.02  -0.09    -0.01  -0.11   0.48
    17   1    -0.42  -0.06  -0.18     0.34   0.05   0.14     0.66   0.09   0.25
    18   1    -0.02   0.24  -0.12    -0.09   0.80  -0.40     0.02  -0.19   0.09
    19   1    -0.02  -0.02  -0.05    -0.05  -0.05  -0.17     0.04   0.03   0.14
    20   1     0.02  -0.06  -0.09    -0.01   0.03   0.04     0.03  -0.08  -0.13
    21   1     0.04  -0.00  -0.00    -0.04   0.00   0.00    -0.13   0.02   0.02
    22   1    -0.01  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.34   0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9155              3095.2437              3159.2040
 Red. masses --      1.1019                 1.1020                 1.0859
 Frc consts  --      6.1986                 6.2202                 6.3854
 IR Inten    --     46.9860                37.5166                 8.1638
 RamAct Fr= 1--    106.0471                90.0913                17.7262
  Dep-P Fr= 1--      0.4824                 0.7499                 0.6968
  Dep-U Fr= 1--      0.6508                 0.8571                 0.8213
 Alpha2 Fr= 1--      0.5673                 0.0002                 0.0165
 Beta2  Fr= 1--     11.5028                12.8690                 2.4264
 AlphaG Fr= 1--      0.2884                 0.0003                 0.0366
 Gamma2 Fr= 1--     15.1676                -6.3465                 0.8679
 Delta2 Fr= 1--      9.5246                -3.9054                 0.4546
 Raman1 Fr= 1--     424.188                360.365                 70.905
 ROA1   Fr= 1--    1760.880               -734.238                 97.866
 CID1   Fr= 1--       4.151                 -2.037                  1.380
 Raman2 Fr= 1--     138.033                154.428                 29.117
 ROA2   Fr= 1--     287.826               -121.074                 17.193
 CID2   Fr= 1--       2.085                 -0.784                  0.590
 Raman3 Fr= 1--     276.067                308.855                 58.235
 ROA3   Fr= 1--    1760.880               -734.238                 97.866
 CID3   Fr= 1--       6.378                 -2.377                  1.681
 RC180  Fr= 1--       0.302                  0.714                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03   0.03   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03   0.01   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.05  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.04  -0.01
     7   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.03   0.00  -0.03     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.33  -0.31  -0.03
    11   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.36  -0.10  -0.06
    12   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.14   0.64   0.15
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.10   0.42   0.10
    14   1     0.04  -0.10  -0.14    -0.02   0.06   0.09    -0.00   0.00   0.01
    15   6    -0.07   0.03   0.05    -0.04  -0.07  -0.01    -0.00  -0.00  -0.00
    16   1     0.00   0.01  -0.03    -0.01  -0.05   0.22    -0.00   0.00  -0.00
    17   1     0.06   0.01   0.02     0.31   0.05   0.12    -0.00  -0.00  -0.00
    18   1    -0.00   0.03  -0.02     0.01  -0.08   0.04    -0.00   0.01  -0.00
    19   1    -0.01  -0.00  -0.02     0.02   0.01   0.07     0.00   0.00   0.00
    20   1     0.11  -0.37  -0.55    -0.08   0.19   0.30    -0.00   0.00   0.00
    21   1     0.71  -0.06  -0.07     0.29  -0.05  -0.04     0.00  -0.00  -0.00
    22   1     0.01   0.06   0.01     0.31   0.69  -0.10     0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3164.0522              3176.7425              3190.6733
 Red. masses --      1.0884                 1.0918                 1.0965
 Frc consts  --      6.4197                 6.4914                 6.5769
 IR Inten    --      1.6939                26.1423                22.3365
 RamAct Fr= 1--    156.0781                71.4853               303.5098
  Dep-P Fr= 1--      0.4993                 0.7485                 0.1026
  Dep-U Fr= 1--      0.6661                 0.8561                 0.1861
 Alpha2 Fr= 1--      0.7732                 0.0019                 5.2803
 Beta2  Fr= 1--     17.3266                10.2001                 9.4134
 AlphaG Fr= 1--      0.1583                -0.0113                 0.3752
 Gamma2 Fr= 1--     -0.5081                 0.6139                 1.2942
 Delta2 Fr= 1--     -0.8799                -3.3523                 2.9452
 Raman1 Fr= 1--     624.312                285.941               1214.039
 ROA1   Fr= 1--     -76.931                -48.340                218.493
 CID1   Fr= 1--      -0.123                 -0.169                  0.180
 Raman2 Fr= 1--     207.919                122.402                112.961
 ROA2   Fr= 1--      -5.155                 41.552                  7.501
 CID2   Fr= 1--      -0.025                  0.339                  0.066
 Raman3 Fr= 1--     415.837                244.804                225.923
 ROA3   Fr= 1--     -76.931                -48.340                218.493
 CID3   Fr= 1--      -0.185                 -0.197                  0.967
 RC180  Fr= 1--       0.332                  0.712                 -0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04   0.03   0.00    -0.04  -0.04  -0.00
     2   6    -0.03   0.01   0.00    -0.05   0.01   0.01    -0.06   0.02   0.01
     3   6    -0.01   0.05   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.01   0.04   0.01    -0.00   0.02   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1     0.10   0.10   0.01    -0.43  -0.39  -0.04     0.48   0.45   0.05
    11   1     0.32  -0.09  -0.05     0.52  -0.14  -0.08     0.64  -0.18  -0.10
    12   1     0.12  -0.54  -0.13     0.09  -0.38  -0.09    -0.05   0.22   0.05
    13   1    -0.17   0.69   0.16     0.10  -0.43  -0.10     0.06  -0.24  -0.06
    14   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   725.472361508.552942023.28571
           X            0.99997  -0.00668   0.00349
           Y            0.00669   0.99997  -0.00341
           Z           -0.00346   0.00343   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11939     0.05742     0.04281
 Rotational constants (GHZ):           2.48768     1.19634     0.89199
 Zero-point vibrational energy     504546.9 (Joules/Mol)
                                  120.58960 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    152.56   189.99   305.52   354.23   418.11
          (Kelvin)            525.67   594.26   642.83   771.30   799.00
                              862.74   962.02  1063.81  1098.12  1127.99
                             1133.64  1226.75  1265.71  1307.43  1347.70
                             1384.30  1386.25  1402.08  1487.94  1511.86
                             1566.94  1591.88  1611.17  1701.02  1702.54
                             1713.97  1752.57  1771.63  1851.47  1872.65
                             1906.86  1939.92  1947.42  1960.51  2027.32
                             2135.23  2147.36  2153.29  2159.39  2163.43
                             2182.96  2343.23  2374.51  4341.92  4354.46
                             4361.89  4386.71  4418.58  4445.36  4445.70
                             4453.37  4545.39  4552.37  4570.62  4590.67
 
 Zero-point correction=                           0.192172 (Hartree/Particle)
 Thermal correction to Energy=                    0.200469
 Thermal correction to Enthalpy=                  0.201413
 Thermal correction to Gibbs Free Energy=         0.159320
 Sum of electronic and zero-point Energies=           -388.291447
 Sum of electronic and thermal Energies=              -388.283150
 Sum of electronic and thermal Enthalpies=            -388.282206
 Sum of electronic and thermal Free Energies=         -388.324299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.796             33.754             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.183
 Vibrational            124.019             27.792             18.862
 Vibration     1          0.605              1.944              3.340
 Vibration     2          0.612              1.921              2.916
 Vibration     3          0.643              1.822              2.023
 Vibration     4          0.661              1.769              1.758
 Vibration     5          0.687              1.691              1.470
 Vibration     6          0.739              1.544              1.099
 Vibration     7          0.777              1.442              0.916
 Vibration     8          0.806              1.368              0.806
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.911              1.128              0.533
 Vibration    11          0.958              1.033              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.522369D-73        -73.282023       -168.738093
 Total V=0       0.129054D+16         15.110772         34.793839
 Vib (Bot)       0.164337D-86        -86.784266       -199.828156
 Vib (Bot)    1  0.193311D+01          0.286256          0.659129
 Vib (Bot)    2  0.154301D+01          0.188369          0.433736
 Vib (Bot)    3  0.934438D+00         -0.029449         -0.067810
 Vib (Bot)    4  0.794157D+00         -0.100094         -0.230474
 Vib (Bot)    5  0.657839D+00         -0.181881         -0.418796
 Vib (Bot)    6  0.499876D+00         -0.301137         -0.693394
 Vib (Bot)    7  0.427378D+00         -0.369188         -0.850086
 Vib (Bot)    8  0.384823D+00         -0.414739         -0.954973
 Vib (Bot)    9  0.296636D+00         -0.527776         -1.215248
 Vib (Bot)   10  0.281144D+00         -0.551072         -1.268890
 Vib (Bot)   11  0.249113D+00         -0.603604         -1.389850
 Vib (V=0)       0.406003D+02          1.608529          3.703776
 Vib (V=0)    1  0.249672D+01          0.397370          0.914979
 Vib (V=0)    2  0.212200D+01          0.326745          0.752359
 Vib (V=0)    3  0.155980D+01          0.193069          0.444557
 Vib (V=0)    4  0.143845D+01          0.157894          0.363565
 Vib (V=0)    5  0.132629D+01          0.122638          0.282384
 Vib (V=0)    6  0.120702D+01          0.081714          0.188154
 Vib (V=0)    7  0.115776D+01          0.063620          0.146490
 Vib (V=0)    8  0.113094D+01          0.053441          0.123051
 Vib (V=0)    9  0.108137D+01          0.033975          0.078230
 Vib (V=0)   10  0.107362D+01          0.030851          0.071038
 Vib (V=0)   11  0.105862D+01          0.024740          0.056967
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.532678D+06          5.726465         13.185673
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 333333333333                                                     11111111111111111111 11111                                         
 111100000000                                                     66555444433333222111 11000999998 87777  6  655   44 3  2 22  11    
 976599974321                                                     52100998065420831988 20853766308 58863  6  053   41 6  9 41  30    
 174950019278                                                     09741724934852718132 06914432790 38439  9  056   73 5  1 62  26    
 
 XXXXXXXXXXXX                                                     XXXXXXXXXXXXXXXXXXXX XXXXXXXXXX  XXXXX  X  XXX   XX X  X  X  X     
 XX XXXXXXXXX                                                       X XXX XX                         XXX           X                 
 XX XXXXXXXXX                                                       X   X                             XX           X                 
 XX  XXXXX XX                                                       X   X                             XX                             
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
  X  XXXXX XX                                                                                         X                              
     XXXXX X                                                                                          X                              
     XX XX X                                                                                          X                              
     XX XX                                                                                            X                              
     XX  X                                                                                            X                              
     XX  X                                                                                            X                              
      X  X                                                                                            X                              
      X                                                                                               X                              
      X                                                                                               X                              
      X                                                                                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000176   -0.000007274    0.000004377
      2        6           0.000008375   -0.000001666    0.000004004
      3        6          -0.000003316   -0.000002474    0.000002029
      4        6          -0.000006746    0.000019656   -0.000006706
      5        6          -0.000003354    0.000011821   -0.000011281
      6        6          -0.000003151   -0.000005708    0.000001043
      7        6          -0.000000539    0.000005637   -0.000015301
      8        6           0.000001566    0.000001599    0.000009947
      9        6           0.000004447   -0.000008549    0.000008247
     10        1           0.000000267    0.000000763    0.000000439
     11        1           0.000000010   -0.000000731   -0.000000503
     12        1          -0.000000227   -0.000001079   -0.000000359
     13        1          -0.000000236   -0.000000580   -0.000001319
     14        1           0.000000999   -0.000000119    0.000000321
     15        6           0.000000368   -0.000001152    0.000002625
     16        1           0.000006670    0.000001054    0.000000142
     17        1          -0.000005114   -0.000007381   -0.000000162
     18        1           0.000000950    0.000000875    0.000002638
     19        1          -0.000005898   -0.000002005   -0.000005927
     20        1           0.000003422   -0.000004208    0.000005303
     21        1           0.000003465    0.000001757    0.000001758
     22        1          -0.000002134   -0.000000236   -0.000001314
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000019656 RMS     0.000005248
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143333D+03  0.157174D+01 -0.240880D+01
      2   0.157174D+01  0.122258D+03  0.523865D+01
      3  -0.240880D+01  0.523865D+01  0.821809D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.249383D+01 -0.181477D+01  0.202937D+01
      2   0.960339D+01 -0.142170D+02  0.146409D+02
      3   0.148859D+01  0.315015D+02  0.118401D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.784593D+02 -0.123991D+02  0.912396D+01
      2   0.348545D+02  0.433452D+01 -0.592700D+01
      3   0.436048D+02  0.806458D+01 -0.319696D+01
      4  -0.211012D+02 -0.357171D+02 -0.302551D+02
      5   0.211453D+02 -0.307325D+02  0.395465D+02
      6  -0.133379D+02  0.589904D+01 -0.102419D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.118668D+01 -0.122300D+01 -0.597785D+00 -0.376506D+01  0.508683D+00
      2  -0.122300D+01 -0.200472D+01 -0.606812D+00  0.508683D+00 -0.204232D+01
      3  -0.597785D+00 -0.606812D+00 -0.189733D+01  0.104839D+01  0.841750D+00
                 6             7             8             9            10 
      1   0.104839D+01 -0.144866D+01  0.663721D+00 -0.360712D+01 -0.409105D+01
      2   0.841750D+00  0.663721D+00  0.116857D+01 -0.284070D+01  0.107141D+01
      3  -0.160662D+01 -0.360712D+01 -0.284070D+01 -0.537313D+00 -0.535152D+00
                11            12            13            14            15 
      1   0.107141D+01 -0.535152D+00  0.166329D+01  0.142179D+01  0.120148D+01
      2  -0.241832D+01 -0.264372D-01  0.142179D+01  0.186861D+01 -0.552923D+00
      3  -0.264372D-01 -0.219135D+01  0.120148D+01 -0.552923D+00  0.470424D+00
                16            17            18            19            20 
      1  -0.350773D-01  0.139003D+01 -0.464637D+01 -0.694382D+00  0.350135D+01
      2   0.139003D+01  0.295179D+00  0.101469D+01  0.350135D+01  0.856730D+00
      3  -0.464637D+01  0.101469D+01  0.130025D+01  0.513748D+00 -0.314178D+00
                21            22            23            24            25 
      1   0.513748D+00 -0.488123D+01  0.715259D+00 -0.979657D-01 -0.589080D+00
      2  -0.314178D+00  0.715259D+00 -0.171274D+01  0.106360D+01 -0.100192D+01
      3   0.457644D+00 -0.979657D-01  0.106360D+01 -0.159800D+01 -0.296840D+00
                26            27            28            29            30 
      1  -0.100192D+01 -0.296840D+00  0.125496D+02 -0.388774D+01 -0.310135D+00
      2   0.127814D+01 -0.332302D+01 -0.388774D+01  0.423772D+01  0.168378D+00
      3  -0.332302D+01 -0.263650D+01 -0.310135D+00  0.168378D+00  0.160911D+01
                31            32            33            34            35 
      1  -0.821733D+01 -0.183319D+01 -0.493900D+00 -0.214306D+01 -0.110503D+01
      2  -0.183319D+01 -0.500646D+00 -0.448994D-01 -0.110503D+01 -0.562678D+00
      3  -0.493900D+00 -0.448994D-01 -0.245066D+00  0.307750D+01 -0.149250D+01
                36            37            38            39            40 
      1   0.307750D+01  0.270406D+01  0.366874D+01  0.739911D+00  0.116404D+02
      2  -0.149250D+01  0.366874D+01  0.602098D+01  0.122450D+01  0.292992D+01
      3  -0.127889D+01  0.739911D+00  0.122450D+01  0.153804D+01  0.717313D-01
                41            42            43            44            45 
      1   0.292992D+01  0.717313D-01  0.276197D+01  0.204397D+00  0.209992D+01
      2   0.467160D+01 -0.378771D+00  0.204397D+00 -0.115208D+01  0.224818D+01
      3  -0.378771D+00  0.102492D+01  0.209992D+01  0.224818D+01  0.300791D+00
                46            47            48            49            50 
      1   0.121823D+01 -0.304467D+01 -0.365634D+00  0.453605D+01 -0.339307D+00
      2  -0.304467D+01 -0.246097D+01  0.513740D+00 -0.339307D+00  0.937932D+00
      3  -0.365634D+00  0.513740D+00  0.135302D-01  0.210546D+00 -0.862335D+00
                51            52            53            54            55 
      1   0.210546D+00  0.291151D+00  0.106272D+01 -0.170874D+01 -0.256909D+01
      2  -0.862335D+00  0.106272D+01 -0.867367D+00  0.324193D+01  0.255244D+01
      3   0.166176D+01 -0.170874D+01  0.324193D+01  0.237533D+01 -0.142767D+00
                56            57            58            59            60 
      1   0.255244D+01 -0.142767D+00  0.393722D+01 -0.414207D+01  0.510329D+00
      2  -0.300636D+01  0.642682D+00 -0.414207D+01 -0.189115D+01  0.177415D+01
      3   0.642682D+00 -0.214617D+01  0.510329D+00  0.177415D+01  0.335264D+01
                61            62            63            64            65 
      1  -0.197116D+01  0.102326D+01 -0.440572D+01 -0.599039D+01 -0.193092D+01
      2   0.102326D+01  0.879502D+00  0.434696D+01 -0.193092D+01  0.166552D+01
      3  -0.440572D+01  0.434696D+01  0.170654D+01 -0.233994D+01  0.176408D+00
                66            67            68            69            70 
      1  -0.233994D+01 -0.185044D+01  0.167122D+01  0.368918D+00 -0.365871D+01
      2   0.176408D+00  0.167122D+01  0.307689D+01 -0.139785D+01  0.111435D+00
      3   0.488874D+00  0.368918D+00 -0.139785D+01 -0.153499D+01 -0.397850D+00
                71            72            73            74            75 
      1   0.111435D+00 -0.397850D+00 -0.200836D+01 -0.226951D+00 -0.138033D+00
      2  -0.355801D+00 -0.219869D+01 -0.226951D+00 -0.177497D+01 -0.178887D+01
      3  -0.219869D+01  0.569801D+01 -0.138033D+00 -0.178887D+01 -0.169059D+01
                76            77            78            79            80 
      1  -0.526571D+00 -0.344424D+01 -0.131020D+01 -0.148765D+01 -0.252943D+01
      2  -0.344424D+01 -0.769740D+01  0.173354D+01 -0.252943D+01  0.175815D+01
      3  -0.131020D+01  0.173354D+01 -0.119440D+01 -0.331178D+01 -0.305919D+01
                81            82            83            84            85 
      1  -0.331178D+01 -0.734370D+01 -0.449800D+01 -0.394748D+00 -0.444289D+01
      2  -0.305919D+01 -0.449800D+01 -0.342786D+01 -0.220778D+00 -0.440849D+01
      3  -0.450015D+01 -0.394748D+00 -0.220778D+00 -0.743291D+00 -0.612809D+00
                86            87            88            89            90 
      1  -0.440849D+01 -0.612809D+00 -0.318253D+00 -0.480473D+00 -0.184463D+00
      2  -0.509585D+01 -0.541451D+00 -0.480473D+00 -0.774729D+00 -0.235999D+00
      3  -0.541451D+00 -0.738401D+00 -0.184463D+00 -0.235999D+00 -0.109898D+00
                91            92            93            94            95 
      1  -0.126076D+02  0.239506D+01  0.153808D+01  0.243666D+01 -0.209123D+01
      2   0.239506D+01 -0.122318D+01 -0.269198D+00 -0.209123D+01  0.107023D+01
      3   0.153808D+01 -0.269198D+00 -0.114910D+01 -0.652497D+00  0.337230D+00
                96            97            98            99           100 
      1  -0.652497D+00  0.170519D+01 -0.644884D+00 -0.386215D+00  0.544702D+00
      2   0.337230D+00 -0.644884D+00  0.298482D+00  0.151652D+00 -0.142078D+01
      3   0.354533D+00 -0.386215D+00  0.151652D+00  0.295866D+00 -0.344401D+00
               101           102           103           104           105 
      1  -0.142078D+01 -0.344401D+00 -0.989485D+00  0.739310D+00  0.124918D+00
      2   0.134743D+01  0.464420D+00  0.739310D+00 -0.988392D+01 -0.214734D+01
      3   0.464420D+00  0.298699D+00  0.124918D+00 -0.214734D+01 -0.144757D+01
               106           107           108           109           110 
      1  -0.355337D+00  0.445084D+00  0.202901D-01 -0.143091D+01  0.194742D+01
      2   0.445084D+00 -0.234476D+01 -0.695131D+00  0.194742D+01 -0.193938D+01
      3   0.202901D-01 -0.695131D+00 -0.492548D+00  0.514031D+00 -0.553668D+00
               111           112           113           114           115 
      1   0.514031D+00  0.174816D+01 -0.287573D+01 -0.627517D+00  0.475808D+00
      2  -0.553668D+00 -0.287573D+01  0.975339D+01  0.197804D+01 -0.820195D+00
      3  -0.394215D+00 -0.627517D+00  0.197804D+01  0.140986D+01 -0.300424D+00
               116           117           118           119           120 
      1  -0.820195D+00 -0.300424D+00  0.186761D+01 -0.143347D+01 -0.150820D+01
      2   0.209102D+01  0.659106D+00 -0.143347D+01  0.108611D+01  0.443203D+00
      3   0.659106D+00  0.465378D+00 -0.150820D+01  0.443203D+00  0.140453D+01
               121           122           123           124           125 
      1  -0.288634D+01  0.225826D+01  0.952546D+00 -0.235270D+01  0.118619D+01
      2   0.225826D+01 -0.316871D+01 -0.233366D+01  0.118619D+01 -0.237457D+01
      3   0.952546D+00 -0.233366D+01 -0.286646D+01  0.259336D+01 -0.295679D+01
               126           127           128           129           130 
      1   0.259336D+01 -0.824375D+01  0.172558D+01  0.738152D+00 -0.122026D+01
      2  -0.295679D+01  0.172558D+01  0.270033D+01 -0.113997D+01  0.302205D+01
      3  -0.554132D+01  0.738152D+00 -0.113997D+01  0.209073D+01 -0.136497D+01
               131           132           133           134           135 
      1   0.302205D+01 -0.136497D+01  0.493194D+01 -0.232314D+01  0.304590D+01
      2   0.354516D+01 -0.142319D+01 -0.232314D+01 -0.327960D+00 -0.358864D+01
      3  -0.142319D+01 -0.314282D+01  0.304590D+01 -0.358864D+01 -0.162454D+01
               136           137           138           139           140 
      1   0.115280D+01  0.620836D+00 -0.108879D+01  0.560767D+00  0.349182D+00
      2   0.620836D+00 -0.166144D+00 -0.229924D+00  0.349182D+00  0.873434D+00
      3  -0.108879D+01 -0.229924D+00  0.250976D+00 -0.510215D+00 -0.138469D+01
               141           142           143           144           145 
      1  -0.510215D+00 -0.147026D+01 -0.614208D+00  0.222217D+01  0.108902D+02
      2  -0.138469D+01 -0.614208D+00 -0.182723D+01  0.243805D+01  0.203561D+01
      3   0.166293D+01  0.222217D+01  0.243805D+01 -0.873754D+01  0.961328D+00
               146           147           148           149           150 
      1   0.203561D+01  0.961328D+00  0.141706D+01  0.146895D+01  0.479206D-01
      2   0.137087D+01 -0.245948D-01  0.146895D+01  0.523038D+00  0.365793D+00
      3  -0.245948D-01  0.112298D+01  0.479206D-01  0.365793D+00  0.315055D+00
               151           152           153           154           155 
      1   0.294035D+01  0.474583D+00  0.160341D+01 -0.974344D-01  0.102551D+01
      2   0.474583D+00  0.697005D+00  0.531396D+00  0.102551D+01 -0.715495D+00
      3   0.160341D+01  0.531396D+00  0.102314D+00 -0.434772D+00  0.221715D+00
               156           157           158           159           160 
      1  -0.434772D+00  0.181818D+01  0.176895D+01 -0.170445D+00 -0.515069D+00
      2   0.221715D+00  0.176895D+01  0.107458D+02 -0.198047D+01 -0.139550D+00
      3   0.103524D+00 -0.170445D+00 -0.198047D+01  0.134079D+01  0.725387D+00
               161           162           163           164           165 
      1  -0.139550D+00  0.725387D+00  0.223516D+01  0.997098D+00  0.160688D+01
      2  -0.324365D+01  0.226240D+01  0.997098D+00  0.835034D+00  0.832825D+00
      3   0.226240D+01 -0.795333D+00  0.160688D+01  0.832825D+00  0.146887D+01
               166           167           168           169           170 
      1   0.629761D+00  0.163746D+01  0.729302D+00  0.377164D+01  0.236253D+01
      2   0.163746D+01  0.280899D+01  0.160196D+01  0.236253D+01  0.304809D+01
      3   0.729302D+00  0.160196D+01  0.122877D+01  0.282092D+01  0.333017D+01
               171           172           173           174           175 
      1   0.282092D+01  0.501090D+00  0.310371D+00  0.699441D+00  0.109779D+01
      2   0.333017D+01  0.310371D+00 -0.645085D+00  0.117241D+00 -0.503967D+00
      3   0.690456D+01  0.699441D+00  0.117241D+00 -0.937764D+00  0.479820D+00
               176           177           178           179           180 
      1  -0.503967D+00  0.479820D+00  0.961587D+00  0.482619D-01  0.366568D+00
      2   0.121154D+01  0.118328D+01  0.482619D-01  0.145274D+01  0.119942D+01
      3   0.118328D+01  0.264818D+01  0.366568D+00  0.119942D+01  0.609857D+01
               181           182           183           184           185 
      1   0.128802D+02 -0.303173D+01  0.835929D+00 -0.127762D+01  0.145762D+01
      2  -0.303173D+01  0.167687D+01 -0.362034D+00  0.145762D+01 -0.127183D+01
      3   0.835929D+00 -0.362034D+00  0.124874D+01  0.974411D-01  0.209248D+00
               186           187           188           189           190 
      1   0.974411D-01 -0.115285D+01  0.426461D+00  0.103314D+01 -0.280286D+00
      2   0.209248D+00  0.426461D+00 -0.348547D+00  0.491261D-01 -0.115416D+01
      3   0.190064D+00  0.103314D+01  0.491261D-01 -0.879464D-03  0.528641D-01
               191           192           193           194           195 
      1  -0.115416D+01  0.528641D-01 -0.142811D+01 -0.310423D+00 -0.282012D-02
      2  -0.201512D+01  0.731358D+00 -0.310423D+00 -0.782207D+01  0.195898D+01
      3   0.731358D+00 -0.946437D+00 -0.282012D-02  0.195898D+01 -0.128561D+01
               196           197           198 
      1  -0.341766D+00  0.260157D+00 -0.363048D+00
      2   0.260157D+00  0.121249D+01 -0.108242D+01
      3  -0.363048D+00 -0.108242D+01  0.100731D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.173832D+01  0.660798D+00 -0.295302D+01  0.238878D+01 -0.694999D+00
      2   0.198510D+01  0.134428D+01  0.419005D+01 -0.225134D+01 -0.215355D+01
      3  -0.628794D+01 -0.941809D+01 -0.796555D+00  0.871495D+01 -0.330273D+01
                 6             7             8             9            10 
      1  -0.818623D+00 -0.693226D+01  0.508324D+01  0.197000D+01  0.518717D+00
      2   0.469814D+01 -0.932046D+00  0.982542D+01  0.261359D+01 -0.710754D+00
      3   0.928099D+00  0.225388D+01  0.250234D+01 -0.442944D+01  0.446169D+01
                11            12            13            14            15 
      1   0.553069D+00  0.130100D+01  0.264875D-01 -0.242572D+01  0.103164D+01
      2  -0.526398D-01  0.630720D+01 -0.376152D+01  0.312459D+00 -0.165682D+01
      3  -0.791040D+01 -0.446837D+00  0.101727D+02  0.388156D+01 -0.137506D+01
                16            17            18            19            20 
      1   0.383038D+01  0.103473D+02  0.202570D+01  0.946177D+00 -0.129207D+01
      2   0.630678D+01 -0.467948D+01 -0.324313D+01 -0.458497D+01  0.313757D+01
      3   0.371713D+01 -0.102060D+01  0.179328D+01  0.861731D+01 -0.734123D+01
                21            22            23            24            25 
      1   0.174915D+01 -0.553812D+00  0.824879D+00 -0.319088D+01  0.297425D+01
      2  -0.798233D+00  0.142487D+01  0.425105D+00  0.231420D+01 -0.128309D+02
      3  -0.374252D+01  0.615072D+01 -0.642933D+01  0.336630D+00 -0.341023D+01
                26            27            28            29            30 
      1   0.442664D+00 -0.100791D+01  0.364610D+00  0.574836D-01  0.169231D+01
      2   0.277723D+01  0.390631D+01  0.227986D+01 -0.325131D+01 -0.219999D+01
      3   0.192065D+01 -0.510670D+01 -0.479521D+01  0.112114D+02  0.167024D+01
                31            32            33            34            35 
      1   0.248502D+00 -0.313130D+01 -0.582586D+00  0.377661D+01  0.906174D+01
      2  -0.135382D+01  0.626372D+00  0.273176D+00 -0.138349D+02 -0.338410D+00
      3   0.107546D+02 -0.875726D+01  0.119097D+01 -0.621898D+00 -0.181942D+01
                36            37            38            39            40 
      1   0.613737D+00 -0.187962D+01 -0.334262D+00 -0.137571D+01  0.771322D+00
      2   0.328009D+00 -0.554564D+00  0.299686D+00 -0.148617D+01  0.329151D+01
      3  -0.217849D+01 -0.233361D+01  0.811880D+01  0.208621D+01  0.120300D+02
                41            42            43            44            45 
      1  -0.494139D+00 -0.481607D+00 -0.415038D+01  0.747138D+01  0.169313D+01
      2  -0.251091D+01 -0.154055D+01 -0.134068D+02 -0.131939D+01  0.946062D+00
      3   0.168071D+02  0.125751D+01 -0.610337D+00  0.296571D+01  0.440932D+01
                46            47            48            49            50 
      1   0.795663D+00 -0.135143D+01 -0.306044D+00 -0.615947D+00 -0.143490D+00
      2   0.578113D+00  0.185900D+01  0.609335D-01  0.202585D+01  0.228508D+01
      3  -0.434187D+01 -0.147612D+02 -0.197761D+01  0.127582D+01  0.279102D+01
                51            52            53            54            55 
      1  -0.268027D+01  0.297872D+01  0.938726D+00 -0.828125D+00 -0.185209D+01
      2  -0.438897D+01 -0.102562D+02 -0.782538D+01 -0.381616D+01 -0.123155D+00
      3  -0.161972D+01 -0.181349D+01 -0.201815D+01  0.508709D+01 -0.113341D+01
                56            57            58            59            60 
      1   0.806900D+00 -0.236538D+01  0.390971D+00  0.460929D+01 -0.302700D+00
      2   0.249873D+01 -0.438703D+00  0.333582D+01  0.745668D+00  0.640134D+01
      3  -0.334254D+01  0.846847D+00  0.106224D+02  0.120430D+02 -0.537440D+01
                61            62            63            64            65 
      1  -0.588214D+01  0.755582D+01  0.368369D+00  0.428585D+01 -0.221870D+01
      2  -0.145033D+02  0.932856D+01  0.129892D+01 -0.122237D+02 -0.713657D+00
      3   0.219868D+01 -0.542830D+01 -0.457167D+01  0.378694D+00 -0.116057D+02
                66            67            68            69            70 
      1  -0.580211D+00 -0.108309D+01 -0.233068D+01  0.100472D+01  0.855498D+00
      2   0.161018D+01  0.437302D+00 -0.685636D+00 -0.408195D+01 -0.875842D+01
      3  -0.367575D+01 -0.690544D+01 -0.782303D+01  0.532171D+01 -0.651351D+01
                71            72            73            74            75 
      1   0.555536D+01 -0.445650D+01  0.100237D+01  0.487788D+01  0.341572D+01
      2  -0.660922D+01  0.127973D+02  0.690018D+00 -0.152785D+01  0.234410D+00
      3   0.354147D+01  0.515157D+01 -0.465942D+01 -0.294424D+01  0.166248D+01
                76            77            78            79            80 
      1   0.226060D+01 -0.827999D+01  0.418910D+00  0.984997D+01  0.126529D+02
      2  -0.182448D+01  0.272109D+01 -0.757084D-01 -0.797526D+01 -0.248420D+01
      3   0.117749D+02  0.436358D+00 -0.760912D+01  0.310952D+00 -0.121659D+02
                81            82            83            84            85 
      1   0.968887D+01  0.199654D+00  0.499176D+00 -0.241076D+01 -0.349355D+00
      2  -0.355804D+01 -0.394293D+00 -0.383641D+00  0.377452D+01  0.840950D+00
      3  -0.549160D+01 -0.186563D+01 -0.534080D+01  0.754645D-01 -0.418274D+01
                86            87            88            89            90 
      1   0.667170D-02 -0.258998D+01  0.102929D+01  0.119491D+01 -0.898050D-01
      2   0.788996D+00  0.332909D+01 -0.112626D+01 -0.618123D+00  0.901804D-01
      3  -0.912268D+01 -0.665850D+00 -0.884818D+00 -0.133470D+01 -0.930659D-01
                91            92            93            94            95 
      1  -0.143623D+00 -0.560751D+00  0.119077D+01 -0.230015D-01  0.175560D+00
      2  -0.173568D+01  0.250994D+00  0.618864D+01  0.172240D+01 -0.776739D+00
      3   0.198832D+01 -0.538292D+01 -0.170672D+00 -0.417005D+01  0.302312D+01
                96            97            98            99           100 
      1  -0.615485D+00 -0.772574D+00  0.614903D+00 -0.111496D+00  0.148096D+00
      2  -0.180062D+01 -0.169014D+01  0.291651D+00 -0.724536D+00  0.788955D+00
      3   0.747998D+00 -0.201048D+01  0.147624D+01  0.279907D+00 -0.395460D+01
               101           102           103           104           105 
      1   0.309556D+00  0.108579D+01 -0.285558D+00  0.877080D+00 -0.463703D+01
      2  -0.954696D+00 -0.149955D+00 -0.118570D+01  0.238845D+01  0.873820D+00
      3   0.413331D+01  0.114576D+01  0.609068D+01 -0.127110D+02 -0.284450D+01
               106           107           108           109           110 
      1  -0.336259D+00  0.214888D+01 -0.799921D+00 -0.270992D+00  0.417545D+00
      2  -0.132828D+01  0.879348D+00  0.251220D+00 -0.459434D+00  0.532110D+00
      3   0.159222D+01 -0.363017D+01 -0.606542D+00  0.101435D+01 -0.951546D+00
               111           112           113           114           115 
      1   0.112625D+01  0.930362D-01  0.689529D+00 -0.456388D+01 -0.327993D+00
      2   0.980900D+00  0.136990D+00 -0.310424D+01 -0.299564D+01 -0.717549D+00
      3  -0.336551D+00  0.519996D+00  0.147334D+02  0.288381D+01 -0.195708D+00
               116           117           118           119           120 
      1   0.190330D+01 -0.767090D+00 -0.774459D+00 -0.552127D+00  0.134777D+01
      2  -0.300031D+00 -0.630345D+00 -0.119840D+01  0.226918D+00  0.258576D+01
      3   0.298835D+01  0.390649D+00  0.167382D+01 -0.299058D+01  0.347934D+00
               121           122           123           124           125 
      1   0.142896D+00  0.562734D+00 -0.253245D+01  0.201745D+01  0.815952D+00
      2  -0.271896D+00 -0.287396D+01 -0.503150D+01  0.127537D+01 -0.424967D+01
      3   0.483896D+00  0.377770D+01  0.412336D+01  0.873149D+00  0.473916D+01
               126           127           128           129           130 
      1  -0.381470D+01  0.310900D+01  0.200820D+01  0.278090D+01 -0.167949D+01
      2  -0.837646D+01  0.114599D+02 -0.636936D+01  0.803168D+01 -0.593690D+01
      3   0.405506D+01  0.922700D+01 -0.137535D+02  0.157573D+01 -0.497925D+01
               131           132           133           134           135 
      1   0.402682D+01 -0.113165D+02  0.275600D+01 -0.594891D+01 -0.642451D+01
      2  -0.570969D+01 -0.726237D+01  0.493227D+01 -0.779753D+01 -0.615769D+01
      3  -0.172813D+02  0.706693D+01 -0.161854D+00  0.718375D+01  0.481496D+01
               136           137           138           139           140 
      1   0.215974D+00  0.689206D+00 -0.609791D-01  0.684785D+00  0.730193D-01
      2  -0.988328D+00 -0.129780D+00  0.761882D+00 -0.433140D+00 -0.286907D+01
      3  -0.757500D+00  0.847413D+00 -0.366231D+00  0.269072D+01 -0.133461D+01
               141           142           143           144           145 
      1  -0.109067D+01 -0.140524D+01  0.195328D+01  0.671338D+01 -0.238886D+01
      2   0.342790D+01  0.102090D+01  0.461327D+01 -0.183341D+02  0.916625D+01
      3   0.283850D+01 -0.693277D+00  0.470351D+01 -0.271460D+01  0.686231D+01
               146           147           148           149           150 
      1  -0.774301D+00 -0.150669D+01 -0.846148D+00 -0.518139D+00 -0.138156D+01
      2   0.125897D+01  0.603184D+01  0.110725D+01  0.182308D+01  0.105953D+01
      3  -0.500621D+01  0.114011D+01 -0.116880D+01  0.409593D+00 -0.146778D+01
               151           152           153           154           155 
      1  -0.174982D+01 -0.625185D-01 -0.855603D+00  0.676425D+00 -0.914347D+00
      2   0.458640D+01  0.147695D+01  0.193151D+01  0.806893D-01  0.586160D+00
      3   0.225909D+01 -0.273325D+01  0.311643D+00 -0.170756D+01  0.798559D+00
               156           157           158           159           160 
      1  -0.673989D-02  0.159189D+01  0.599389D+01 -0.565358D+01 -0.186991D+01
      2   0.111726D+01 -0.276736D+00 -0.221843D+01  0.129628D+01  0.107121D+00
      3  -0.161361D+01  0.458828D+01 -0.932116D+01  0.235788D+01 -0.229632D+01
               161           162           163           164           165 
      1  -0.449509D+01  0.253844D+01 -0.332013D+01 -0.952255D+00 -0.334862D+01
      2   0.166598D+01 -0.913032D+00 -0.438768D+00  0.625511D+00  0.226980D+01
      3   0.458121D+01 -0.105758D+01  0.557305D+01 -0.257766D+00  0.245962D+01
               166           167           168           169           170 
      1  -0.113054D+01 -0.235442D+01 -0.296969D+01 -0.637654D+01 -0.458796D+01
      2   0.642812D+00  0.111066D+01  0.146436D+01  0.599454D+00  0.291263D+01
      3  -0.577849D+00 -0.140219D+00 -0.135981D+00  0.626921D+01  0.147133D+01
               171           172           173           174           175 
      1  -0.155097D+02  0.164342D+01 -0.154422D+01 -0.126732D+01 -0.797597D+00
      2   0.667080D+01  0.198691D+01 -0.334318D+00 -0.223966D+01 -0.109468D+01
      3   0.210824D+01 -0.126588D+01  0.897643D+00 -0.932880D+00  0.131139D+01
               176           177           178           179           180 
      1   0.553840D+01  0.460023D+01 -0.219403D+00  0.669127D+01  0.105895D+02
      2   0.384608D+01  0.623676D+01 -0.302676D+01  0.375141D+01  0.142997D+02
      3  -0.313603D+01 -0.362582D+01 -0.723791D+00 -0.408665D+01 -0.372763D+01
               181           182           183           184           185 
      1  -0.956347D-01  0.101086D+01  0.229189D+01  0.106905D+01 -0.612546D+00
      2  -0.820729D+01  0.104622D+01  0.572365D+01  0.139445D+01 -0.191563D+00
      3  -0.133402D+02 -0.308508D+01 -0.100471D+00 -0.308640D+00  0.171317D+01
               186           187           188           189           190 
      1  -0.175878D+00  0.138419D+01  0.101292D+01  0.148668D+00 -0.144222D+01
      2   0.179367D+00  0.158408D+01  0.331810D+00 -0.677163D+00  0.139819D+01
      3  -0.558802D+00  0.312154D+00 -0.166496D+00 -0.196754D+01  0.585883D+01
               191           192           193           194           195 
      1  -0.139621D+01 -0.180008D+01 -0.109845D+01 -0.501167D+01 -0.256710D+01
      2   0.267035D+01 -0.146104D+01  0.203000D+01  0.602075D+01 -0.271983D+01
      3   0.695744D+01 -0.146743D+01  0.679325D+01  0.205315D+02 -0.498648D+01
               196           197           198 
      1  -0.642380D+00  0.777007D+00  0.932287D+00
      2  -0.170702D+01 -0.242101D+01  0.250721D+01
      3   0.149253D+00 -0.367006D+01  0.354315D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.468332D+01 -0.211375D+02 -0.314568D+01  0.258490D+02  0.139180D+01
      2  -0.251215D+00  0.149194D+02 -0.421444D+00 -0.256710D+02 -0.546226D+01
      3   0.493454D+01  0.621811D+01  0.356712D+01 -0.177921D+00  0.407045D+01
      4  -0.213887D+02  0.103003D+02  0.495043D+01  0.149012D+01 -0.172467D+02
      5   0.923617D+00  0.313756D+01  0.937027D+01 -0.597383D+01 -0.768412D+01
      6   0.287135D+01  0.301535D+01  0.650551D+01 -0.771686D+01 -0.419582D+01
                 6             7             8             9            10 
      1  -0.851539D+00  0.109907D+02  0.386035D+01  0.594924D+01 -0.131990D+02
      2   0.195085D+01 -0.119571D+02 -0.574448D+01 -0.105057D+02  0.858430D+01
      3  -0.109931D+01  0.966461D+00  0.188413D+01  0.455647D+01  0.461472D+01
      4  -0.968835D+01 -0.798485D+00 -0.980577D+01  0.118148D+02  0.698532D+01
      5   0.936426D+01  0.246087D+02  0.145752D+02  0.542004D+01  0.704754D+01
      6   0.249511D+01  0.774748D+01  0.102990D+02 -0.309089D+01  0.748184D+00
                11            12            13            14            15 
      1   0.536407D+01  0.694884D+01 -0.204791D+02 -0.197345D+02 -0.644201D+01
      2  -0.273801D+01 -0.312302D+01  0.179963D+02  0.184184D+02  0.761649D+01
      3  -0.262605D+01 -0.382582D+01  0.248274D+01  0.131612D+01 -0.117448D+01
      4   0.215100D+02  0.226713D+00 -0.198098D+02  0.143115D+02  0.800115D+01
      5  -0.140723D+00  0.132827D+02 -0.113124D+02  0.533841D+01 -0.309008D+01
      6  -0.194924D+00 -0.275054D+01  0.684731D+01  0.368700D+01 -0.157934D+01
                16            17            18            19            20 
      1   0.415543D+01 -0.916139D+01  0.114536D+02  0.125281D+02  0.564958D+01
      2   0.190052D+01  0.693822D+01 -0.165735D+02 -0.103173D+02 -0.749829D+01
      3  -0.605596D+01  0.222317D+01  0.511986D+01 -0.221082D+01  0.184872D+01
      4  -0.134009D+02  0.386328D+01 -0.314330D+01  0.115468D+02 -0.220315D+02
      5   0.315217D+02 -0.543777D+01 -0.673961D+01 -0.676969D+00 -0.215565D+01
      6  -0.166667D+01  0.531251D+01 -0.306493D+01 -0.235144D+01  0.135427D+01
                21            22            23            24            25 
      1  -0.150751D+01  0.716405D+01  0.114434D+02  0.558734D+01 -0.205161D+01
      2   0.816676D+00 -0.360121D+00 -0.164530D+02 -0.818757D+01  0.229633D+01
      3   0.690838D+00 -0.680393D+01  0.500960D+01  0.260023D+01 -0.244711D+00
      4  -0.433955D+01  0.165438D+02  0.879990D+01 -0.446578D+00  0.898096D+00
      5  -0.407866D+01  0.716978D+00  0.108433D+00  0.301872D+01  0.215838D+01
      6  -0.316095D+01  0.251090D+01 -0.123243D+02  0.407770D+01  0.170492D+00
                26            27            28            29            30 
      1   0.457136D+01 -0.135439D+02 -0.229513D+02  0.779690D+01  0.245955D+01
      2  -0.110396D+02  0.675529D+00  0.134007D+02 -0.407143D+01  0.493943D-01
      3   0.646824D+01  0.128683D+02  0.955060D+01 -0.372547D+01 -0.250895D+01
      4   0.276241D+01  0.873191D+01 -0.107017D+02  0.924483D+01  0.574252D+00
      5   0.755120D+01  0.814226D+01  0.399111D+01 -0.126521D+01 -0.157000D+01
      6   0.142897D+02  0.561267D+01 -0.241675D+01 -0.269042D+00 -0.240892D+01
                31            32            33            34            35 
      1  -0.467651D+01 -0.515117D+01  0.117866D-01  0.657007D+01 -0.116963D+01
      2   0.948738D+01  0.994824D+01  0.231782D+01 -0.296090D-01  0.489976D+00
      3  -0.481086D+01 -0.479707D+01 -0.232961D+01 -0.654046D+01  0.679658D+00
      4  -0.801412D+01  0.108172D+02  0.196964D+01 -0.429666D+01  0.172168D+01
      5  -0.258396D+01  0.471772D+00 -0.603368D+00  0.319245D+01 -0.700639D+00
      6   0.622318D+01  0.277797D+01  0.108696D+01 -0.139480D+01  0.580773D+01
                36            37            38            39            40 
      1  -0.101537D+02 -0.176974D+02 -0.247139D+02 -0.482852D+01 -0.502835D+01
      2  -0.302651D+01  0.135549D+02  0.187945D+02  0.275406D+01 -0.442323D+01
      3   0.131802D+02  0.414252D+01  0.591941D+01  0.207446D+01  0.945158D+01
      4  -0.279038D+01 -0.646632D+01 -0.143694D+01  0.257493D+01  0.523434D+01
      5   0.307125D+00 -0.102413D+01  0.279328D+01 -0.107115D+01  0.399175D+01
      6  -0.138601D+01  0.629570D+01  0.394821D+01  0.268279D+01 -0.677000D+01
                41            42            43            44            45 
      1  -0.631950D+01  0.310537D+01  0.854990D-01  0.669224D+01 -0.102420D+02
      2   0.639028D+01  0.510856D-01 -0.198557D+01 -0.511094D+01  0.150165D+00
      3  -0.707743D-01 -0.315646D+01  0.190007D+01 -0.158130D+01  0.100918D+02
      4  -0.907117D+01 -0.284271D+01  0.202588D+01 -0.166974D+01 -0.179744D+01
      5  -0.240510D+01 -0.175784D+01  0.371443D+01 -0.268884D+01  0.150488D+01
      6  -0.943594D+00  0.215189D+01  0.937696D+00  0.759031D+01 -0.198708D+01
                46            47            48            49            50 
      1   0.180222D+02  0.170104D+02 -0.633365D+00 -0.167174D+02  0.139345D+02
      2  -0.163127D+02 -0.125643D+02 -0.378313D+00  0.137197D+02 -0.194528D+02
      3  -0.170948D+01 -0.444608D+01  0.101168D+01  0.299774D+01  0.551834D+01
      4   0.699111D+01 -0.176065D+02 -0.649753D+01  0.108349D+02 -0.121811D+01
      5   0.341909D+01 -0.541367D+01 -0.269874D+01  0.903951D+00  0.437915D+01
      6  -0.730512D+01  0.184672D+01 -0.349458D+00  0.316401D+01 -0.109920D+02
                51            52            53            54            55 
      1   0.401555D+01 -0.549594D+01 -0.102479D+01 -0.672540D+01  0.189713D+02
      2  -0.660101D+01  0.742025D+01 -0.740138D+01 -0.383482D+01 -0.936868D+01
      3   0.258546D+01 -0.192431D+01  0.842617D+01  0.105602D+02 -0.960258D+01
      4   0.438724D+01 -0.280263D+01  0.104281D+02 -0.129207D+02  0.826107D+01
      5  -0.784525D+01  0.826534D+01 -0.124225D+02 -0.755656D+01 -0.193874D+01
      6   0.367879D+01 -0.484173D+01  0.128489D+02  0.309700D+01  0.271859D+01
                56            57            58            59            60 
      1  -0.501387D+01  0.218665D+01 -0.424888D+01 -0.534293D+01  0.407865D+01
      2   0.253671D+01 -0.138809D+01  0.171978D+00  0.474258D+01 -0.289340D+01
      3   0.247716D+01 -0.798556D+00  0.407690D+01  0.600352D+00 -0.118525D+01
      4  -0.115143D+02  0.299550D+01 -0.216870D+02 -0.634368D+01  0.622469D+01
      5   0.330465D+01 -0.990512D+01  0.398954D+01  0.782946D+01  0.148337D+02
      6  -0.751041D+00  0.684936D+01  0.264873D+01 -0.397236D+01 -0.123720D+02
                61            62            63            64            65 
      1  -0.456395D+01  0.575507D+01  0.238081D+01 -0.330192D+02 -0.117577D+02
      2  -0.629599D+00 -0.238283D-02 -0.141735D+01  0.102038D+02  0.858353D+01
      3   0.519355D+01 -0.575269D+01 -0.963457D+00  0.228154D+02  0.317416D+01
      4   0.910848D+01  0.646895D+00  0.220890D+02 -0.153370D+02  0.992061D+00
      5  -0.214502D+02  0.196981D+02  0.598410D+01 -0.109142D+02  0.150712D-01
      6   0.164544D+02 -0.149188D+02 -0.899702D+01 -0.409779D+01  0.169615D+00
                66            67            68            69            70 
      1  -0.113669D+02 -0.103704D+02  0.651846D+01  0.215484D+00 -0.204257D+02
      2   0.694045D+01  0.946788D+01  0.381175D+00 -0.658932D+01  0.861941D+01
      3   0.442642D+01  0.902563D+00 -0.689963D+01  0.637384D+01  0.118063D+02
      4  -0.318586D+01  0.450956D+01  0.144914D+02 -0.407982D+01 -0.587184D+01
      5   0.267618D+01  0.230511D+01 -0.686814D+01 -0.674854D+01 -0.141413D+01
      6   0.129336D+00 -0.164813D+01 -0.272912D+01 -0.304412D+01 -0.287304D+01
                71            72            73            74            75 
      1  -0.198944D+01  0.655807D+01  0.252711D+01  0.997415D+01  0.848944D+01
      2  -0.804064D+01  0.112625D+02  0.465375D+01 -0.365338D+01 -0.714334D+01
      3   0.100301D+02 -0.178206D+02 -0.718085D+01 -0.632077D+01 -0.134610D+01
      4   0.999922D+00 -0.107766D+02  0.392610D+01  0.182843D+01 -0.242950D+01
      5  -0.974967D+01  0.240661D+02  0.101462D+01 -0.444749D+01 -0.657501D+01
      6  -0.191346D+01  0.169713D+02 -0.274896D+01 -0.798621D+01 -0.661326D+01
                76            77            78            79            80 
      1   0.184904D+02  0.250684D+02 -0.780397D+01  0.130555D+02 -0.726839D+01
      2  -0.161409D+02 -0.371424D+02  0.135885D+02 -0.632771D+01  0.190583D+02
      3  -0.234949D+01  0.120740D+02 -0.578452D+01 -0.672778D+01 -0.117899D+02
      4  -0.240995D+01 -0.104219D+02  0.165999D+01 -0.578831D+01 -0.149698D+01
      5  -0.635206D+01  0.268497D+01 -0.259579D+01 -0.108512D+02 -0.814513D+01
      6  -0.335767D+01  0.126131D+02 -0.606964D+01 -0.150311D+02 -0.167166D+02
                81            82            83            84            85 
      1   0.115844D+02  0.388714D+02  0.202854D+02  0.222432D+01  0.160831D+02
      2  -0.634765D+01 -0.130776D+02 -0.341658D+01 -0.110380D+01  0.173203D+01
      3  -0.523677D+01 -0.257938D+02 -0.168689D+02 -0.112052D+01 -0.178151D+02
      4  -0.969996D+01  0.421087D+02  0.318906D+02  0.233356D+01  0.367027D+02
      5  -0.147267D+02  0.492332D+01  0.259414D+01  0.723300D+01  0.514709D+01
      6  -0.187399D+02  0.625714D+00  0.439785D+00  0.349178D+01  0.214363D+01
                86            87            88            89            90 
      1   0.106893D+02  0.151497D+01  0.289081D+00  0.356006D+00  0.107660D+01
      2   0.783269D+01 -0.554557D+00  0.941327D+00  0.933451D+00  0.350308D+00
      3  -0.185220D+02 -0.960408D+00 -0.123041D+01 -0.128946D+01 -0.142691D+01
      4   0.384433D+02  0.380306D+01  0.384637D+01  0.409079D+01  0.367514D+01
      5   0.458977D+01  0.555863D+01  0.310865D+01  0.236749D+01  0.823738D+00
      6   0.209223D+01  0.459010D+01  0.197767D+01  0.236020D+01  0.116414D+01
                91            92            93            94            95 
      1   0.909746D+02 -0.160746D+02 -0.938693D+01 -0.147475D+02  0.112219D+02
      2  -0.514017D+02  0.803907D+01  0.659718D+01  0.649373D+01 -0.465489D+01
      3  -0.395729D+02  0.803554D+01  0.278974D+01  0.825378D+01 -0.656704D+01
      4  -0.257368D+02  0.130006D+02  0.261425D+01  0.195377D+02 -0.943064D+01
      5  -0.145520D+02  0.246753D+01  0.117143D+02  0.527881D+01 -0.288789D+01
      6  -0.518242D-01 -0.655597D+00 -0.144858D+01 -0.165165D+01  0.701000D+00
                96            97            98            99           100 
      1   0.279853D+01 -0.112680D+02  0.341114D+01  0.467700D+01 -0.422801D+01
      2  -0.200686D+01  0.668266D+01 -0.196810D+01 -0.294964D+01  0.587125D+01
      3  -0.791669D+00  0.458532D+01 -0.144304D+01 -0.172736D+01 -0.164324D+01
      4  -0.272799D+01  0.586019D+01 -0.289536D+01 -0.242857D+01 -0.134843D+00
      5  -0.300813D+01  0.580591D+01 -0.143947D+01 -0.307617D+01  0.271610D-01
      6   0.193753D+01 -0.959552D+00  0.112070D+01  0.838161D+00  0.219218D+01
               101           102           103           104           105 
      1   0.748769D+01  0.249174D+01  0.399008D+01 -0.385726D+02 -0.897593D+01
      2  -0.761030D+01 -0.170572D+01 -0.413299D+01  0.525376D+02  0.881703D+01
      3   0.122611D+00 -0.786021D+00  0.142911D+00 -0.139651D+02  0.158899D+00
      4   0.724160D+01  0.119253D+01  0.560003D+01  0.113729D+02  0.294235D+01
      5   0.947878D+00  0.119715D+01  0.102999D+01  0.375309D+01  0.220745D+01
      6  -0.316978D+01 -0.189586D+01 -0.856158D+00  0.158037D+02  0.104028D+02
               106           107           108           109           110 
      1   0.112574D+01 -0.912952D+01 -0.432686D+01  0.194974D+01 -0.274315D+01
      2  -0.112228D+01  0.106319D+02  0.447130D+01  0.337637D+01 -0.330065D+01
      3  -0.346289D-02 -0.150240D+01 -0.144446D+00 -0.532611D+01  0.604380D+01
      4   0.123061D+01  0.202623D+01 -0.546323D+00 -0.125439D+02  0.166660D+02
      5   0.757317D+00  0.490508D+00  0.476071D-01 -0.295602D+01  0.374595D+01
      6  -0.423162D+00  0.660956D+01  0.438851D+01  0.258548D+01 -0.304388D+01
               111           112           113           114           115 
      1  -0.424818D+00  0.221372D+01 -0.234156D+02 -0.504759D+01  0.192189D+00
      2  -0.285030D+00 -0.927910D+01  0.419864D+02  0.584894D+01 -0.161589D+01
      3   0.709848D+00  0.706538D+01 -0.185707D+02 -0.801351D+00  0.142370D+01
      4   0.398271D+01  0.185049D+02 -0.416646D+02 -0.828759D+01  0.489672D+01
      5   0.334606D+01  0.363369D+01 -0.743149D+01 -0.570708D+01  0.177858D+01
      6  -0.215433D+01 -0.398473D+01  0.130140D+02  0.960336D+01 -0.190913D+01
               116           117           118           119           120 
      1  -0.410523D+01 -0.325049D+01  0.374364D+01 -0.192596D+01 -0.338761D+01
      2   0.686336D+01  0.388433D+01 -0.332798D+01  0.110021D+01  0.289069D+01
      3  -0.275813D+01 -0.633836D+00 -0.415659D+00  0.825749D+00  0.496926D+00
      4  -0.976134D+01 -0.325852D+01 -0.802820D+01  0.912255D+01  0.456350D+01
      5  -0.281049D+01 -0.206911D+01 -0.853686D+01  0.397858D+01  0.108740D+02
      6   0.612394D+01  0.411187D+01  0.576754D+01 -0.267796D+01 -0.419216D+01
               121           122           123           124           125 
      1   0.568578D+00 -0.586386D+01 -0.580775D+01 -0.631053D+00 -0.569272D+01
      2  -0.841358D+00  0.569768D+01  0.288112D+01  0.382641D+01  0.354804D+00
      3   0.272780D+00  0.166183D+00  0.292663D+01 -0.319535D+01  0.533792D+01
      4   0.133205D+02 -0.140621D+02 -0.974998D+01  0.755152D+01 -0.995993D+01
      5   0.582177D+01 -0.988684D+01 -0.119063D+02  0.155456D+02 -0.123636D+02
      6  -0.569145D+01  0.127878D+02  0.144333D+02 -0.911620D+01  0.141505D+02
               126           127           128           129           130 
      1  -0.964896D+01 -0.526751D+02  0.214543D+02 -0.405913D+01  0.121142D+02
      2  -0.576070D+01  0.205599D+02 -0.185016D+02  0.333261D+00 -0.100069D+02
      3   0.154097D+02  0.321152D+02 -0.295267D+01  0.372587D+01 -0.210731D+01
      4  -0.127862D+02  0.273923D+02  0.599684D+01 -0.446457D+01  0.114576D+02
      5  -0.228871D+02 -0.570431D+01 -0.124309D+01  0.999587D+01 -0.485657D+01
      6   0.197052D+02 -0.200764D+01  0.749488D+01 -0.529344D+01  0.644429D+01
               131           132           133           134           135 
      1   0.231098D+02 -0.136654D+01  0.302784D+01 -0.269530D+01  0.820017D+01
      2  -0.246360D+02  0.149500D+02 -0.299498D+01  0.121260D+02  0.786558D+01
      3   0.152621D+01 -0.135835D+02 -0.328562D-01 -0.943069D+01 -0.160658D+02
      4   0.552345D+01 -0.426938D+01 -0.140658D+02  0.473059D+00 -0.216855D+02
      5  -0.456711D+00 -0.143615D+02  0.173131D+02 -0.179513D+02 -0.336830D+01
      6   0.905289D+01  0.451452D+01 -0.116626D+02  0.707117D+01 -0.409777D+01
               136           137           138           139           140 
      1   0.446961D+01  0.370297D+01 -0.464552D+01  0.152522D+01 -0.515264D+01
      2  -0.487048D+01 -0.255523D+01  0.284960D+01 -0.139812D+01  0.104838D+01
      3   0.400869D+00 -0.114774D+01  0.179592D+01 -0.127100D+00  0.410426D+01
      4   0.442353D+01  0.157847D+01 -0.329025D+01  0.418216D+01  0.387086D+01
      5  -0.580761D+01 -0.264271D+01  0.695198D+01 -0.342418D+01 -0.582316D+01
      6  -0.310159D+01 -0.452770D+00  0.212255D+00 -0.239793D+01 -0.638697D+01
               141           142           143           144           145 
      1   0.352474D+01 -0.298190D+01  0.451841D+01 -0.136753D+02  0.665198D+02
      2  -0.256691D+00  0.763493D+01  0.192596D+01 -0.196512D+02 -0.321909D+02
      3  -0.326805D+01 -0.465303D+01 -0.644438D+01  0.333266D+02 -0.343289D+02
      4  -0.676407D+01 -0.589564D+01 -0.910228D+01  0.119693D+02  0.260754D+02
      5   0.694116D+01  0.154546D+02  0.108167D+02 -0.377364D+02  0.205224D+01
      6   0.107829D+02  0.617495D+01  0.103946D+02 -0.221907D+02  0.948240D+00
               146           147           148           149           150 
      1   0.991904D+01  0.615114D+01  0.580078D+01  0.668742D+01  0.209602D+00
      2  -0.294686D+01 -0.224498D+01 -0.108038D+00 -0.849628D+00  0.123061D+01
      3  -0.697218D+01 -0.390616D+01 -0.569274D+01 -0.583779D+01 -0.144021D+01
      4   0.140787D+02  0.154692D+01  0.133878D+02  0.569919D+01  0.219808D+01
      5  -0.373973D+00  0.875057D+01 -0.590915D-02  0.182045D+01  0.159751D+01
      6  -0.185582D+00  0.237706D+01 -0.329268D+00  0.898185D+00  0.203801D+01
               151           152           153           154           155 
      1   0.147830D+02  0.196826D+01  0.656319D+01 -0.118677D+01  0.503532D+01
      2  -0.682066D+01  0.112620D+01 -0.538665D+01  0.430722D+01 -0.548166D+01
      3  -0.796234D+01 -0.309445D+01 -0.117654D+01 -0.312045D+01  0.446342D+00
      4   0.629856D+01  0.458894D+01  0.458256D+01  0.141502D+01  0.831205D+01
      5   0.110212D+02  0.301648D+01  0.233399D+01 -0.736225D+00 -0.712946D+00
      6   0.299541D+01  0.196358D+01 -0.244265D+00 -0.302762D+01  0.129328D+01
               156           157           158           159           160 
      1  -0.229136D+01 -0.385209D+01 -0.400088D+02  0.765117D+01 -0.117349D+01
      2   0.173015D+01  0.734998D+01  0.645688D+02 -0.117014D+02 -0.115743D+01
      3   0.561206D+00 -0.349789D+01 -0.245600D+02  0.405019D+01  0.233092D+01
      4  -0.194114D+01  0.969733D+01  0.181634D+02 -0.301995D+01 -0.341278D+01
      5   0.274913D+01 -0.121421D+01 -0.264898D+01  0.255604D+01  0.361555D+01
      6  -0.638592D-01 -0.203727D+01 -0.158795D+02  0.104640D+02  0.418367D+01
               161           162           163           164           165 
      1   0.127239D+02 -0.896530D+01  0.205346D+01 -0.104527D+01  0.463403D-01
      2  -0.188981D+02  0.953814D+01 -0.370330D+01  0.119853D+01 -0.269758D-01
      3   0.617417D+01 -0.572845D+00  0.164984D+01 -0.153261D+00 -0.193645D-01
      4  -0.539964D+01  0.411088D+01  0.678971D+01  0.649198D+01  0.637799D+01
      5   0.416906D+01 -0.443685D+00  0.713936D+01  0.465374D+01  0.980079D+01
      6   0.158636D+02 -0.686770D+01  0.688493D+01  0.445341D+01  0.637766D+01
               166           167           168           169           170 
      1  -0.450089D+01 -0.109883D+02 -0.516743D+01 -0.405425D+01 -0.106573D+02
      2   0.578582D+01  0.125544D+02  0.455377D+01 -0.239670D-01  0.625731D+01
      3  -0.128493D+01 -0.156615D+01  0.613658D+00  0.407822D+01  0.440003D+01
      4   0.526606D+01  0.757598D+01  0.546281D+01  0.114133D+02  0.101738D+02
      5   0.263818D+01  0.541136D+01  0.401595D+01  0.131326D+02  0.110080D+02
      6   0.456549D+01  0.803688D+01  0.974070D+01  0.128121D+02  0.191996D+02
               171           172           173           174           175 
      1  -0.172419D+02  0.339707D+01 -0.721834D+00  0.584746D+01  0.300986D+01
      2   0.563545D+00 -0.430468D+01  0.172749D+01 -0.574827D+00 -0.192283D+01
      3   0.166783D+02  0.907606D+00 -0.100566D+01 -0.527264D+01 -0.108703D+01
      4   0.109693D+02 -0.304713D+00 -0.169295D+01 -0.799192D+00 -0.201922D+01
      5   0.208267D+02  0.277976D+01  0.127699D+01  0.848777D+00  0.448157D+01
      6   0.302055D+02  0.181320D+00 -0.164980D+01  0.191007D+01 -0.997350D+00
               176           177           178           179           180 
      1  -0.520195D+01 -0.271234D+01  0.464191D+01 -0.156582D+01 -0.136759D+02
      2  -0.401909D+00 -0.888029D+01 -0.338484D+01 -0.676521D+01 -0.178430D+02
      3   0.560386D+01  0.115926D+02 -0.125707D+01  0.833103D+01  0.315188D+02
      4   0.682058D+01  0.554134D+01 -0.134234D+01  0.685753D+01  0.763282D+01
      5   0.393421D+01  0.111602D+02  0.639841D+01  0.475185D+01  0.235042D+02
      6   0.216333D+01  0.107612D+01 -0.423463D+00  0.364574D+01 -0.539062D+01
               181           182           183           184           185 
      1   0.780577D+02 -0.137743D+02  0.162650D+01 -0.505368D+01  0.486381D+01
      2  -0.356776D+02  0.303443D+01 -0.281672D+01 -0.142615D+01  0.162814D+01
      3  -0.423801D+02  0.107398D+02  0.119022D+01  0.647983D+01 -0.649195D+01
      4  -0.420750D+02  0.190794D+02 -0.274833D+01  0.149020D+02 -0.989801D+01
      5   0.180182D+02 -0.457372D+01  0.111599D+02 -0.942571D+00  0.175945D+01
      6  -0.295260D+01  0.271086D+01 -0.460051D+01  0.130822D+01 -0.200648D+01
               186           187           188           189           190 
      1   0.211232D+00 -0.511038D+01  0.760381D+00  0.614104D+01 -0.133458D+01
      2  -0.128495D+01  0.258604D+00 -0.194914D+00 -0.492073D+01  0.473646D+01
      3   0.107371D+01  0.485177D+01 -0.565468D+00 -0.122030D+01 -0.340188D+01
      4   0.875306D+00  0.368640D+01 -0.191419D+01 -0.212332D+01 -0.162618D+01
      5   0.153617D+00  0.950817D+01 -0.682985D+00  0.734057D+00 -0.897815D+00
      6   0.131081D+01 -0.344820D+01  0.129594D+01  0.599643D+00 -0.175792D+01
               191           192           193           194           195 
      1  -0.126761D+02  0.399360D+01 -0.818197D+01 -0.306825D+02  0.775824D+01
      2   0.133566D+02 -0.214334D+01  0.560164D+01  0.443291D+02 -0.786533D+01
      3  -0.680534D+00 -0.185026D+01  0.258032D+01 -0.136466D+02  0.107090D+00
      4  -0.794096D+00  0.100131D+01  0.610187D+01 -0.249611D+02  0.640197D+01
      5  -0.707528D+00 -0.187109D+01 -0.327270D+01  0.401189D+01 -0.378347D+01
      6  -0.568980D+01  0.439604D+01 -0.826089D+00 -0.189593D+02  0.108615D+02
               196           197           198 
      1   0.445197D+00  0.635003D+01 -0.792182D+01
      2   0.751086D-01 -0.503223D+01  0.466883D+01
      3  -0.520306D+00 -0.131779D+01  0.325299D+01
      4   0.859266D+00  0.337256D+01 -0.161882D+01
      5   0.148089D+00 -0.248054D+01  0.249986D+01
      6   0.186758D+01  0.985984D+01 -0.539844D+01
 Leave Link  716 at Fri Jul 23 16:13:49 2021, MaxMem= 10737418240 cpu:               4.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143333D+03  0.157174D+01 -0.240880D+01
      2   0.157174D+01  0.122258D+03  0.523865D+01
      3  -0.240880D+01  0.523865D+01  0.821809D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.249383D+01 -0.181477D+01  0.202937D+01
      2   0.960339D+01 -0.142170D+02  0.146409D+02
      3   0.148859D+01  0.315015D+02  0.118401D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.784593D+02 -0.123991D+02  0.912396D+01
      2   0.348545D+02  0.433452D+01 -0.592700D+01
      3   0.436048D+02  0.806458D+01 -0.319696D+01
      4  -0.211012D+02 -0.357171D+02 -0.302551D+02
      5   0.211453D+02 -0.307325D+02  0.395465D+02
      6  -0.133379D+02  0.589904D+01 -0.102419D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.118668D+01 -0.122300D+01 -0.597785D+00 -0.376506D+01  0.508683D+00
      2  -0.122300D+01 -0.200472D+01 -0.606812D+00  0.508683D+00 -0.204232D+01
      3  -0.597785D+00 -0.606812D+00 -0.189733D+01  0.104839D+01  0.841750D+00
                 6             7             8             9            10 
      1   0.104839D+01 -0.144866D+01  0.663721D+00 -0.360712D+01 -0.409105D+01
      2   0.841750D+00  0.663721D+00  0.116857D+01 -0.284070D+01  0.107141D+01
      3  -0.160662D+01 -0.360712D+01 -0.284070D+01 -0.537313D+00 -0.535152D+00
                11            12            13            14            15 
      1   0.107141D+01 -0.535152D+00  0.166329D+01  0.142179D+01  0.120148D+01
      2  -0.241832D+01 -0.264372D-01  0.142179D+01  0.186861D+01 -0.552923D+00
      3  -0.264372D-01 -0.219135D+01  0.120148D+01 -0.552923D+00  0.470424D+00
                16            17            18            19            20 
      1  -0.350773D-01  0.139003D+01 -0.464637D+01 -0.694382D+00  0.350135D+01
      2   0.139003D+01  0.295179D+00  0.101469D+01  0.350135D+01  0.856730D+00
      3  -0.464637D+01  0.101469D+01  0.130025D+01  0.513748D+00 -0.314178D+00
                21            22            23            24            25 
      1   0.513748D+00 -0.488123D+01  0.715259D+00 -0.979657D-01 -0.589080D+00
      2  -0.314178D+00  0.715259D+00 -0.171274D+01  0.106360D+01 -0.100192D+01
      3   0.457644D+00 -0.979657D-01  0.106360D+01 -0.159800D+01 -0.296840D+00
                26            27            28            29            30 
      1  -0.100192D+01 -0.296840D+00  0.125496D+02 -0.388774D+01 -0.310135D+00
      2   0.127814D+01 -0.332302D+01 -0.388774D+01  0.423772D+01  0.168378D+00
      3  -0.332302D+01 -0.263650D+01 -0.310135D+00  0.168378D+00  0.160911D+01
                31            32            33            34            35 
      1  -0.821733D+01 -0.183319D+01 -0.493900D+00 -0.214306D+01 -0.110503D+01
      2  -0.183319D+01 -0.500646D+00 -0.448994D-01 -0.110503D+01 -0.562678D+00
      3  -0.493900D+00 -0.448994D-01 -0.245066D+00  0.307750D+01 -0.149250D+01
                36            37            38            39            40 
      1   0.307750D+01  0.270406D+01  0.366874D+01  0.739911D+00  0.116404D+02
      2  -0.149250D+01  0.366874D+01  0.602098D+01  0.122450D+01  0.292992D+01
      3  -0.127889D+01  0.739911D+00  0.122450D+01  0.153804D+01  0.717313D-01
                41            42            43            44            45 
      1   0.292992D+01  0.717313D-01  0.276197D+01  0.204397D+00  0.209992D+01
      2   0.467160D+01 -0.378771D+00  0.204397D+00 -0.115208D+01  0.224818D+01
      3  -0.378771D+00  0.102492D+01  0.209992D+01  0.224818D+01  0.300791D+00
                46            47            48            49            50 
      1   0.121823D+01 -0.304467D+01 -0.365634D+00  0.453605D+01 -0.339307D+00
      2  -0.304467D+01 -0.246097D+01  0.513740D+00 -0.339307D+00  0.937932D+00
      3  -0.365634D+00  0.513740D+00  0.135302D-01  0.210546D+00 -0.862335D+00
                51            52            53            54            55 
      1   0.210546D+00  0.291151D+00  0.106272D+01 -0.170874D+01 -0.256909D+01
      2  -0.862335D+00  0.106272D+01 -0.867367D+00  0.324193D+01  0.255244D+01
      3   0.166176D+01 -0.170874D+01  0.324193D+01  0.237533D+01 -0.142767D+00
                56            57            58            59            60 
      1   0.255244D+01 -0.142767D+00  0.393722D+01 -0.414207D+01  0.510329D+00
      2  -0.300636D+01  0.642682D+00 -0.414207D+01 -0.189115D+01  0.177415D+01
      3   0.642682D+00 -0.214617D+01  0.510329D+00  0.177415D+01  0.335264D+01
                61            62            63            64            65 
      1  -0.197116D+01  0.102326D+01 -0.440572D+01 -0.599039D+01 -0.193092D+01
      2   0.102326D+01  0.879502D+00  0.434696D+01 -0.193092D+01  0.166552D+01
      3  -0.440572D+01  0.434696D+01  0.170654D+01 -0.233994D+01  0.176408D+00
                66            67            68            69            70 
      1  -0.233994D+01 -0.185044D+01  0.167122D+01  0.368918D+00 -0.365871D+01
      2   0.176408D+00  0.167122D+01  0.307689D+01 -0.139785D+01  0.111435D+00
      3   0.488874D+00  0.368918D+00 -0.139785D+01 -0.153499D+01 -0.397850D+00
                71            72            73            74            75 
      1   0.111435D+00 -0.397850D+00 -0.200836D+01 -0.226951D+00 -0.138033D+00
      2  -0.355801D+00 -0.219869D+01 -0.226951D+00 -0.177497D+01 -0.178887D+01
      3  -0.219869D+01  0.569801D+01 -0.138033D+00 -0.178887D+01 -0.169059D+01
                76            77            78            79            80 
      1  -0.526571D+00 -0.344424D+01 -0.131020D+01 -0.148765D+01 -0.252943D+01
      2  -0.344424D+01 -0.769740D+01  0.173354D+01 -0.252943D+01  0.175815D+01
      3  -0.131020D+01  0.173354D+01 -0.119440D+01 -0.331178D+01 -0.305919D+01
                81            82            83            84            85 
      1  -0.331178D+01 -0.734370D+01 -0.449800D+01 -0.394748D+00 -0.444289D+01
      2  -0.305919D+01 -0.449800D+01 -0.342786D+01 -0.220778D+00 -0.440849D+01
      3  -0.450015D+01 -0.394748D+00 -0.220778D+00 -0.743291D+00 -0.612809D+00
                86            87            88            89            90 
      1  -0.440849D+01 -0.612809D+00 -0.318253D+00 -0.480473D+00 -0.184463D+00
      2  -0.509585D+01 -0.541451D+00 -0.480473D+00 -0.774729D+00 -0.235999D+00
      3  -0.541451D+00 -0.738401D+00 -0.184463D+00 -0.235999D+00 -0.109898D+00
                91            92            93            94            95 
      1  -0.126076D+02  0.239506D+01  0.153808D+01  0.243666D+01 -0.209123D+01
      2   0.239506D+01 -0.122318D+01 -0.269198D+00 -0.209123D+01  0.107023D+01
      3   0.153808D+01 -0.269198D+00 -0.114910D+01 -0.652497D+00  0.337230D+00
                96            97            98            99           100 
      1  -0.652497D+00  0.170519D+01 -0.644884D+00 -0.386215D+00  0.544702D+00
      2   0.337230D+00 -0.644884D+00  0.298482D+00  0.151652D+00 -0.142078D+01
      3   0.354533D+00 -0.386215D+00  0.151652D+00  0.295866D+00 -0.344401D+00
               101           102           103           104           105 
      1  -0.142078D+01 -0.344401D+00 -0.989485D+00  0.739310D+00  0.124918D+00
      2   0.134743D+01  0.464420D+00  0.739310D+00 -0.988392D+01 -0.214734D+01
      3   0.464420D+00  0.298699D+00  0.124918D+00 -0.214734D+01 -0.144757D+01
               106           107           108           109           110 
      1  -0.355337D+00  0.445084D+00  0.202901D-01 -0.143091D+01  0.194742D+01
      2   0.445084D+00 -0.234476D+01 -0.695131D+00  0.194742D+01 -0.193938D+01
      3   0.202901D-01 -0.695131D+00 -0.492548D+00  0.514031D+00 -0.553668D+00
               111           112           113           114           115 
      1   0.514031D+00  0.174816D+01 -0.287573D+01 -0.627517D+00  0.475808D+00
      2  -0.553668D+00 -0.287573D+01  0.975339D+01  0.197804D+01 -0.820195D+00
      3  -0.394215D+00 -0.627517D+00  0.197804D+01  0.140986D+01 -0.300424D+00
               116           117           118           119           120 
      1  -0.820195D+00 -0.300424D+00  0.186761D+01 -0.143347D+01 -0.150820D+01
      2   0.209102D+01  0.659106D+00 -0.143347D+01  0.108611D+01  0.443203D+00
      3   0.659106D+00  0.465378D+00 -0.150820D+01  0.443203D+00  0.140453D+01
               121           122           123           124           125 
      1  -0.288634D+01  0.225826D+01  0.952546D+00 -0.235270D+01  0.118619D+01
      2   0.225826D+01 -0.316871D+01 -0.233366D+01  0.118619D+01 -0.237457D+01
      3   0.952546D+00 -0.233366D+01 -0.286646D+01  0.259336D+01 -0.295679D+01
               126           127           128           129           130 
      1   0.259336D+01 -0.824375D+01  0.172558D+01  0.738152D+00 -0.122026D+01
      2  -0.295679D+01  0.172558D+01  0.270033D+01 -0.113997D+01  0.302205D+01
      3  -0.554132D+01  0.738152D+00 -0.113997D+01  0.209073D+01 -0.136497D+01
               131           132           133           134           135 
      1   0.302205D+01 -0.136497D+01  0.493194D+01 -0.232314D+01  0.304590D+01
      2   0.354516D+01 -0.142319D+01 -0.232314D+01 -0.327960D+00 -0.358864D+01
      3  -0.142319D+01 -0.314282D+01  0.304590D+01 -0.358864D+01 -0.162454D+01
               136           137           138           139           140 
      1   0.115280D+01  0.620836D+00 -0.108879D+01  0.560767D+00  0.349182D+00
      2   0.620836D+00 -0.166144D+00 -0.229924D+00  0.349182D+00  0.873434D+00
      3  -0.108879D+01 -0.229924D+00  0.250976D+00 -0.510215D+00 -0.138469D+01
               141           142           143           144           145 
      1  -0.510215D+00 -0.147026D+01 -0.614208D+00  0.222217D+01  0.108902D+02
      2  -0.138469D+01 -0.614208D+00 -0.182723D+01  0.243805D+01  0.203561D+01
      3   0.166293D+01  0.222217D+01  0.243805D+01 -0.873754D+01  0.961328D+00
               146           147           148           149           150 
      1   0.203561D+01  0.961328D+00  0.141706D+01  0.146895D+01  0.479206D-01
      2   0.137087D+01 -0.245948D-01  0.146895D+01  0.523038D+00  0.365793D+00
      3  -0.245948D-01  0.112298D+01  0.479206D-01  0.365793D+00  0.315055D+00
               151           152           153           154           155 
      1   0.294035D+01  0.474583D+00  0.160341D+01 -0.974344D-01  0.102551D+01
      2   0.474583D+00  0.697005D+00  0.531396D+00  0.102551D+01 -0.715495D+00
      3   0.160341D+01  0.531396D+00  0.102314D+00 -0.434772D+00  0.221715D+00
               156           157           158           159           160 
      1  -0.434772D+00  0.181818D+01  0.176895D+01 -0.170445D+00 -0.515069D+00
      2   0.221715D+00  0.176895D+01  0.107458D+02 -0.198047D+01 -0.139550D+00
      3   0.103524D+00 -0.170445D+00 -0.198047D+01  0.134079D+01  0.725387D+00
               161           162           163           164           165 
      1  -0.139550D+00  0.725387D+00  0.223516D+01  0.997098D+00  0.160688D+01
      2  -0.324365D+01  0.226240D+01  0.997098D+00  0.835034D+00  0.832825D+00
      3   0.226240D+01 -0.795333D+00  0.160688D+01  0.832825D+00  0.146887D+01
               166           167           168           169           170 
      1   0.629761D+00  0.163746D+01  0.729302D+00  0.377164D+01  0.236253D+01
      2   0.163746D+01  0.280899D+01  0.160196D+01  0.236253D+01  0.304809D+01
      3   0.729302D+00  0.160196D+01  0.122877D+01  0.282092D+01  0.333017D+01
               171           172           173           174           175 
      1   0.282092D+01  0.501090D+00  0.310371D+00  0.699441D+00  0.109779D+01
      2   0.333017D+01  0.310371D+00 -0.645085D+00  0.117241D+00 -0.503967D+00
      3   0.690456D+01  0.699441D+00  0.117241D+00 -0.937764D+00  0.479820D+00
               176           177           178           179           180 
      1  -0.503967D+00  0.479820D+00  0.961587D+00  0.482619D-01  0.366568D+00
      2   0.121154D+01  0.118328D+01  0.482619D-01  0.145274D+01  0.119942D+01
      3   0.118328D+01  0.264818D+01  0.366568D+00  0.119942D+01  0.609857D+01
               181           182           183           184           185 
      1   0.128802D+02 -0.303173D+01  0.835929D+00 -0.127762D+01  0.145762D+01
      2  -0.303173D+01  0.167687D+01 -0.362034D+00  0.145762D+01 -0.127183D+01
      3   0.835929D+00 -0.362034D+00  0.124874D+01  0.974411D-01  0.209248D+00
               186           187           188           189           190 
      1   0.974411D-01 -0.115285D+01  0.426461D+00  0.103314D+01 -0.280286D+00
      2   0.209248D+00  0.426461D+00 -0.348547D+00  0.491261D-01 -0.115416D+01
      3   0.190064D+00  0.103314D+01  0.491261D-01 -0.879464D-03  0.528641D-01
               191           192           193           194           195 
      1  -0.115416D+01  0.528641D-01 -0.142811D+01 -0.310423D+00 -0.282012D-02
      2  -0.201512D+01  0.731358D+00 -0.310423D+00 -0.782207D+01  0.195898D+01
      3   0.731358D+00 -0.946437D+00 -0.282012D-02  0.195898D+01 -0.128561D+01
               196           197           198 
      1  -0.341766D+00  0.260157D+00 -0.363048D+00
      2   0.260157D+00  0.121249D+01 -0.108242D+01
      3  -0.363048D+00 -0.108242D+01  0.100731D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.173832D+01  0.660798D+00 -0.295302D+01  0.238878D+01 -0.694999D+00
      2   0.198510D+01  0.134428D+01  0.419005D+01 -0.225134D+01 -0.215355D+01
      3  -0.628794D+01 -0.941809D+01 -0.796555D+00  0.871495D+01 -0.330273D+01
                 6             7             8             9            10 
      1  -0.818623D+00 -0.693226D+01  0.508324D+01  0.197000D+01  0.518717D+00
      2   0.469814D+01 -0.932046D+00  0.982542D+01  0.261359D+01 -0.710754D+00
      3   0.928099D+00  0.225388D+01  0.250234D+01 -0.442944D+01  0.446169D+01
                11            12            13            14            15 
      1   0.553069D+00  0.130100D+01  0.264875D-01 -0.242572D+01  0.103164D+01
      2  -0.526398D-01  0.630720D+01 -0.376152D+01  0.312459D+00 -0.165682D+01
      3  -0.791040D+01 -0.446837D+00  0.101727D+02  0.388156D+01 -0.137506D+01
                16            17            18            19            20 
      1   0.383038D+01  0.103473D+02  0.202570D+01  0.946177D+00 -0.129207D+01
      2   0.630678D+01 -0.467948D+01 -0.324313D+01 -0.458497D+01  0.313757D+01
      3   0.371713D+01 -0.102060D+01  0.179328D+01  0.861731D+01 -0.734123D+01
                21            22            23            24            25 
      1   0.174915D+01 -0.553812D+00  0.824879D+00 -0.319088D+01  0.297425D+01
      2  -0.798233D+00  0.142487D+01  0.425105D+00  0.231420D+01 -0.128309D+02
      3  -0.374252D+01  0.615072D+01 -0.642933D+01  0.336630D+00 -0.341023D+01
                26            27            28            29            30 
      1   0.442664D+00 -0.100791D+01  0.364610D+00  0.574836D-01  0.169231D+01
      2   0.277723D+01  0.390631D+01  0.227986D+01 -0.325131D+01 -0.219999D+01
      3   0.192065D+01 -0.510670D+01 -0.479521D+01  0.112114D+02  0.167024D+01
                31            32            33            34            35 
      1   0.248502D+00 -0.313130D+01 -0.582586D+00  0.377661D+01  0.906174D+01
      2  -0.135382D+01  0.626372D+00  0.273176D+00 -0.138349D+02 -0.338410D+00
      3   0.107546D+02 -0.875726D+01  0.119097D+01 -0.621898D+00 -0.181942D+01
                36            37            38            39            40 
      1   0.613737D+00 -0.187962D+01 -0.334262D+00 -0.137571D+01  0.771322D+00
      2   0.328009D+00 -0.554564D+00  0.299686D+00 -0.148617D+01  0.329151D+01
      3  -0.217849D+01 -0.233361D+01  0.811880D+01  0.208621D+01  0.120300D+02
                41            42            43            44            45 
      1  -0.494139D+00 -0.481607D+00 -0.415038D+01  0.747138D+01  0.169313D+01
      2  -0.251091D+01 -0.154055D+01 -0.134068D+02 -0.131939D+01  0.946062D+00
      3   0.168071D+02  0.125751D+01 -0.610337D+00  0.296571D+01  0.440932D+01
                46            47            48            49            50 
      1   0.795663D+00 -0.135143D+01 -0.306044D+00 -0.615947D+00 -0.143490D+00
      2   0.578113D+00  0.185900D+01  0.609335D-01  0.202585D+01  0.228508D+01
      3  -0.434187D+01 -0.147612D+02 -0.197761D+01  0.127582D+01  0.279102D+01
                51            52            53            54            55 
      1  -0.268027D+01  0.297872D+01  0.938726D+00 -0.828125D+00 -0.185209D+01
      2  -0.438897D+01 -0.102562D+02 -0.782538D+01 -0.381616D+01 -0.123155D+00
      3  -0.161972D+01 -0.181349D+01 -0.201815D+01  0.508709D+01 -0.113341D+01
                56            57            58            59            60 
      1   0.806900D+00 -0.236538D+01  0.390971D+00  0.460929D+01 -0.302700D+00
      2   0.249873D+01 -0.438703D+00  0.333582D+01  0.745668D+00  0.640134D+01
      3  -0.334254D+01  0.846847D+00  0.106224D+02  0.120430D+02 -0.537440D+01
                61            62            63            64            65 
      1  -0.588214D+01  0.755582D+01  0.368369D+00  0.428585D+01 -0.221870D+01
      2  -0.145033D+02  0.932856D+01  0.129892D+01 -0.122237D+02 -0.713657D+00
      3   0.219868D+01 -0.542830D+01 -0.457167D+01  0.378694D+00 -0.116057D+02
                66            67            68            69            70 
      1  -0.580211D+00 -0.108309D+01 -0.233068D+01  0.100472D+01  0.855498D+00
      2   0.161018D+01  0.437302D+00 -0.685636D+00 -0.408195D+01 -0.875842D+01
      3  -0.367575D+01 -0.690544D+01 -0.782303D+01  0.532171D+01 -0.651351D+01
                71            72            73            74            75 
      1   0.555536D+01 -0.445650D+01  0.100237D+01  0.487788D+01  0.341572D+01
      2  -0.660922D+01  0.127973D+02  0.690018D+00 -0.152785D+01  0.234410D+00
      3   0.354147D+01  0.515157D+01 -0.465942D+01 -0.294424D+01  0.166248D+01
                76            77            78            79            80 
      1   0.226060D+01 -0.827999D+01  0.418910D+00  0.984997D+01  0.126529D+02
      2  -0.182448D+01  0.272109D+01 -0.757084D-01 -0.797526D+01 -0.248420D+01
      3   0.117749D+02  0.436358D+00 -0.760912D+01  0.310952D+00 -0.121659D+02
                81            82            83            84            85 
      1   0.968887D+01  0.199654D+00  0.499176D+00 -0.241076D+01 -0.349355D+00
      2  -0.355804D+01 -0.394293D+00 -0.383641D+00  0.377452D+01  0.840950D+00
      3  -0.549160D+01 -0.186563D+01 -0.534080D+01  0.754645D-01 -0.418274D+01
                86            87            88            89            90 
      1   0.667170D-02 -0.258998D+01  0.102929D+01  0.119491D+01 -0.898050D-01
      2   0.788996D+00  0.332909D+01 -0.112626D+01 -0.618123D+00  0.901804D-01
      3  -0.912268D+01 -0.665850D+00 -0.884818D+00 -0.133470D+01 -0.930659D-01
                91            92            93            94            95 
      1  -0.143623D+00 -0.560751D+00  0.119077D+01 -0.230015D-01  0.175560D+00
      2  -0.173568D+01  0.250994D+00  0.618864D+01  0.172240D+01 -0.776739D+00
      3   0.198832D+01 -0.538292D+01 -0.170672D+00 -0.417005D+01  0.302312D+01
                96            97            98            99           100 
      1  -0.615485D+00 -0.772574D+00  0.614903D+00 -0.111496D+00  0.148096D+00
      2  -0.180062D+01 -0.169014D+01  0.291651D+00 -0.724536D+00  0.788955D+00
      3   0.747998D+00 -0.201048D+01  0.147624D+01  0.279907D+00 -0.395460D+01
               101           102           103           104           105 
      1   0.309556D+00  0.108579D+01 -0.285558D+00  0.877080D+00 -0.463703D+01
      2  -0.954696D+00 -0.149955D+00 -0.118570D+01  0.238845D+01  0.873820D+00
      3   0.413331D+01  0.114576D+01  0.609068D+01 -0.127110D+02 -0.284450D+01
               106           107           108           109           110 
      1  -0.336259D+00  0.214888D+01 -0.799921D+00 -0.270992D+00  0.417545D+00
      2  -0.132828D+01  0.879348D+00  0.251220D+00 -0.459434D+00  0.532110D+00
      3   0.159222D+01 -0.363017D+01 -0.606542D+00  0.101435D+01 -0.951546D+00
               111           112           113           114           115 
      1   0.112625D+01  0.930362D-01  0.689529D+00 -0.456388D+01 -0.327993D+00
      2   0.980900D+00  0.136990D+00 -0.310424D+01 -0.299564D+01 -0.717549D+00
      3  -0.336551D+00  0.519996D+00  0.147334D+02  0.288381D+01 -0.195708D+00
               116           117           118           119           120 
      1   0.190330D+01 -0.767090D+00 -0.774459D+00 -0.552127D+00  0.134777D+01
      2  -0.300031D+00 -0.630345D+00 -0.119840D+01  0.226918D+00  0.258576D+01
      3   0.298835D+01  0.390649D+00  0.167382D+01 -0.299058D+01  0.347934D+00
               121           122           123           124           125 
      1   0.142896D+00  0.562734D+00 -0.253245D+01  0.201745D+01  0.815952D+00
      2  -0.271896D+00 -0.287396D+01 -0.503150D+01  0.127537D+01 -0.424967D+01
      3   0.483896D+00  0.377770D+01  0.412336D+01  0.873149D+00  0.473916D+01
               126           127           128           129           130 
      1  -0.381470D+01  0.310900D+01  0.200820D+01  0.278090D+01 -0.167949D+01
      2  -0.837646D+01  0.114599D+02 -0.636936D+01  0.803168D+01 -0.593690D+01
      3   0.405506D+01  0.922700D+01 -0.137535D+02  0.157573D+01 -0.497925D+01
               131           132           133           134           135 
      1   0.402682D+01 -0.113165D+02  0.275600D+01 -0.594891D+01 -0.642451D+01
      2  -0.570969D+01 -0.726237D+01  0.493227D+01 -0.779753D+01 -0.615769D+01
      3  -0.172813D+02  0.706693D+01 -0.161854D+00  0.718375D+01  0.481496D+01
               136           137           138           139           140 
      1   0.215974D+00  0.689206D+00 -0.609791D-01  0.684785D+00  0.730193D-01
      2  -0.988328D+00 -0.129780D+00  0.761882D+00 -0.433140D+00 -0.286907D+01
      3  -0.757500D+00  0.847413D+00 -0.366231D+00  0.269072D+01 -0.133461D+01
               141           142           143           144           145 
      1  -0.109067D+01 -0.140524D+01  0.195328D+01  0.671338D+01 -0.238886D+01
      2   0.342790D+01  0.102090D+01  0.461327D+01 -0.183341D+02  0.916625D+01
      3   0.283850D+01 -0.693277D+00  0.470351D+01 -0.271460D+01  0.686231D+01
               146           147           148           149           150 
      1  -0.774301D+00 -0.150669D+01 -0.846148D+00 -0.518139D+00 -0.138156D+01
      2   0.125897D+01  0.603184D+01  0.110725D+01  0.182308D+01  0.105953D+01
      3  -0.500621D+01  0.114011D+01 -0.116880D+01  0.409593D+00 -0.146778D+01
               151           152           153           154           155 
      1  -0.174982D+01 -0.625185D-01 -0.855603D+00  0.676425D+00 -0.914347D+00
      2   0.458640D+01  0.147695D+01  0.193151D+01  0.806893D-01  0.586160D+00
      3   0.225909D+01 -0.273325D+01  0.311643D+00 -0.170756D+01  0.798559D+00
               156           157           158           159           160 
      1  -0.673989D-02  0.159189D+01  0.599389D+01 -0.565358D+01 -0.186991D+01
      2   0.111726D+01 -0.276736D+00 -0.221843D+01  0.129628D+01  0.107121D+00
      3  -0.161361D+01  0.458828D+01 -0.932116D+01  0.235788D+01 -0.229632D+01
               161           162           163           164           165 
      1  -0.449509D+01  0.253844D+01 -0.332013D+01 -0.952255D+00 -0.334862D+01
      2   0.166598D+01 -0.913032D+00 -0.438768D+00  0.625511D+00  0.226980D+01
      3   0.458121D+01 -0.105758D+01  0.557305D+01 -0.257766D+00  0.245962D+01
               166           167           168           169           170 
      1  -0.113054D+01 -0.235442D+01 -0.296969D+01 -0.637654D+01 -0.458796D+01
      2   0.642812D+00  0.111066D+01  0.146436D+01  0.599454D+00  0.291263D+01
      3  -0.577849D+00 -0.140219D+00 -0.135981D+00  0.626921D+01  0.147133D+01
               171           172           173           174           175 
      1  -0.155097D+02  0.164342D+01 -0.154422D+01 -0.126732D+01 -0.797597D+00
      2   0.667080D+01  0.198691D+01 -0.334318D+00 -0.223966D+01 -0.109468D+01
      3   0.210824D+01 -0.126588D+01  0.897643D+00 -0.932880D+00  0.131139D+01
               176           177           178           179           180 
      1   0.553840D+01  0.460023D+01 -0.219403D+00  0.669127D+01  0.105895D+02
      2   0.384608D+01  0.623676D+01 -0.302676D+01  0.375141D+01  0.142997D+02
      3  -0.313603D+01 -0.362582D+01 -0.723791D+00 -0.408665D+01 -0.372763D+01
               181           182           183           184           185 
      1  -0.956347D-01  0.101086D+01  0.229189D+01  0.106905D+01 -0.612546D+00
      2  -0.820729D+01  0.104622D+01  0.572365D+01  0.139445D+01 -0.191563D+00
      3  -0.133402D+02 -0.308508D+01 -0.100471D+00 -0.308640D+00  0.171317D+01
               186           187           188           189           190 
      1  -0.175878D+00  0.138419D+01  0.101292D+01  0.148668D+00 -0.144222D+01
      2   0.179367D+00  0.158408D+01  0.331810D+00 -0.677163D+00  0.139819D+01
      3  -0.558802D+00  0.312154D+00 -0.166496D+00 -0.196754D+01  0.585883D+01
               191           192           193           194           195 
      1  -0.139621D+01 -0.180008D+01 -0.109845D+01 -0.501167D+01 -0.256710D+01
      2   0.267035D+01 -0.146104D+01  0.203000D+01  0.602075D+01 -0.271983D+01
      3   0.695744D+01 -0.146743D+01  0.679325D+01  0.205315D+02 -0.498648D+01
               196           197           198 
      1  -0.642380D+00  0.777007D+00  0.932287D+00
      2  -0.170702D+01 -0.242101D+01  0.250721D+01
      3   0.149253D+00 -0.367006D+01  0.354315D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.468332D+01 -0.211375D+02 -0.314568D+01  0.258490D+02  0.139180D+01
      2  -0.251215D+00  0.149194D+02 -0.421444D+00 -0.256710D+02 -0.546226D+01
      3   0.493454D+01  0.621811D+01  0.356712D+01 -0.177921D+00  0.407045D+01
      4  -0.213887D+02  0.103003D+02  0.495043D+01  0.149012D+01 -0.172467D+02
      5   0.923617D+00  0.313756D+01  0.937027D+01 -0.597383D+01 -0.768412D+01
      6   0.287135D+01  0.301535D+01  0.650551D+01 -0.771686D+01 -0.419582D+01
                 6             7             8             9            10 
      1  -0.851539D+00  0.109907D+02  0.386035D+01  0.594924D+01 -0.131990D+02
      2   0.195085D+01 -0.119571D+02 -0.574448D+01 -0.105057D+02  0.858430D+01
      3  -0.109931D+01  0.966461D+00  0.188413D+01  0.455647D+01  0.461472D+01
      4  -0.968835D+01 -0.798485D+00 -0.980577D+01  0.118148D+02  0.698532D+01
      5   0.936426D+01  0.246087D+02  0.145752D+02  0.542004D+01  0.704754D+01
      6   0.249511D+01  0.774748D+01  0.102990D+02 -0.309089D+01  0.748184D+00
                11            12            13            14            15 
      1   0.536407D+01  0.694884D+01 -0.204791D+02 -0.197345D+02 -0.644201D+01
      2  -0.273801D+01 -0.312302D+01  0.179963D+02  0.184184D+02  0.761649D+01
      3  -0.262605D+01 -0.382582D+01  0.248274D+01  0.131612D+01 -0.117448D+01
      4   0.215100D+02  0.226713D+00 -0.198098D+02  0.143115D+02  0.800115D+01
      5  -0.140723D+00  0.132827D+02 -0.113124D+02  0.533841D+01 -0.309008D+01
      6  -0.194924D+00 -0.275054D+01  0.684731D+01  0.368700D+01 -0.157934D+01
                16            17            18            19            20 
      1   0.415543D+01 -0.916139D+01  0.114536D+02  0.125281D+02  0.564958D+01
      2   0.190052D+01  0.693822D+01 -0.165735D+02 -0.103173D+02 -0.749829D+01
      3  -0.605596D+01  0.222317D+01  0.511986D+01 -0.221082D+01  0.184872D+01
      4  -0.134009D+02  0.386328D+01 -0.314330D+01  0.115468D+02 -0.220315D+02
      5   0.315217D+02 -0.543777D+01 -0.673961D+01 -0.676969D+00 -0.215565D+01
      6  -0.166667D+01  0.531251D+01 -0.306493D+01 -0.235144D+01  0.135427D+01
                21            22            23            24            25 
      1  -0.150751D+01  0.716405D+01  0.114434D+02  0.558734D+01 -0.205161D+01
      2   0.816676D+00 -0.360121D+00 -0.164530D+02 -0.818757D+01  0.229633D+01
      3   0.690838D+00 -0.680393D+01  0.500960D+01  0.260023D+01 -0.244711D+00
      4  -0.433955D+01  0.165438D+02  0.879990D+01 -0.446578D+00  0.898096D+00
      5  -0.407866D+01  0.716978D+00  0.108433D+00  0.301872D+01  0.215838D+01
      6  -0.316095D+01  0.251090D+01 -0.123243D+02  0.407770D+01  0.170492D+00
                26            27            28            29            30 
      1   0.457136D+01 -0.135439D+02 -0.229513D+02  0.779690D+01  0.245955D+01
      2  -0.110396D+02  0.675529D+00  0.134007D+02 -0.407143D+01  0.493943D-01
      3   0.646824D+01  0.128683D+02  0.955060D+01 -0.372547D+01 -0.250895D+01
      4   0.276241D+01  0.873191D+01 -0.107017D+02  0.924483D+01  0.574252D+00
      5   0.755120D+01  0.814226D+01  0.399111D+01 -0.126521D+01 -0.157000D+01
      6   0.142897D+02  0.561267D+01 -0.241675D+01 -0.269042D+00 -0.240892D+01
                31            32            33            34            35 
      1  -0.467651D+01 -0.515117D+01  0.117866D-01  0.657007D+01 -0.116963D+01
      2   0.948738D+01  0.994824D+01  0.231782D+01 -0.296090D-01  0.489976D+00
      3  -0.481086D+01 -0.479707D+01 -0.232961D+01 -0.654046D+01  0.679658D+00
      4  -0.801412D+01  0.108172D+02  0.196964D+01 -0.429666D+01  0.172168D+01
      5  -0.258396D+01  0.471772D+00 -0.603368D+00  0.319245D+01 -0.700639D+00
      6   0.622318D+01  0.277797D+01  0.108696D+01 -0.139480D+01  0.580773D+01
                36            37            38            39            40 
      1  -0.101537D+02 -0.176974D+02 -0.247139D+02 -0.482852D+01 -0.502835D+01
      2  -0.302651D+01  0.135549D+02  0.187945D+02  0.275406D+01 -0.442323D+01
      3   0.131802D+02  0.414252D+01  0.591941D+01  0.207446D+01  0.945158D+01
      4  -0.279038D+01 -0.646632D+01 -0.143694D+01  0.257493D+01  0.523434D+01
      5   0.307125D+00 -0.102413D+01  0.279328D+01 -0.107115D+01  0.399175D+01
      6  -0.138601D+01  0.629570D+01  0.394821D+01  0.268279D+01 -0.677000D+01
                41            42            43            44            45 
      1  -0.631950D+01  0.310537D+01  0.854990D-01  0.669224D+01 -0.102420D+02
      2   0.639028D+01  0.510856D-01 -0.198557D+01 -0.511094D+01  0.150165D+00
      3  -0.707743D-01 -0.315646D+01  0.190007D+01 -0.158130D+01  0.100918D+02
      4  -0.907117D+01 -0.284271D+01  0.202588D+01 -0.166974D+01 -0.179744D+01
      5  -0.240510D+01 -0.175784D+01  0.371443D+01 -0.268884D+01  0.150488D+01
      6  -0.943594D+00  0.215189D+01  0.937696D+00  0.759031D+01 -0.198708D+01
                46            47            48            49            50 
      1   0.180222D+02  0.170104D+02 -0.633365D+00 -0.167174D+02  0.139345D+02
      2  -0.163127D+02 -0.125643D+02 -0.378313D+00  0.137197D+02 -0.194528D+02
      3  -0.170948D+01 -0.444608D+01  0.101168D+01  0.299774D+01  0.551834D+01
      4   0.699111D+01 -0.176065D+02 -0.649753D+01  0.108349D+02 -0.121811D+01
      5   0.341909D+01 -0.541367D+01 -0.269874D+01  0.903951D+00  0.437915D+01
      6  -0.730512D+01  0.184672D+01 -0.349458D+00  0.316401D+01 -0.109920D+02
                51            52            53            54            55 
      1   0.401555D+01 -0.549594D+01 -0.102479D+01 -0.672540D+01  0.189713D+02
      2  -0.660101D+01  0.742025D+01 -0.740138D+01 -0.383482D+01 -0.936868D+01
      3   0.258546D+01 -0.192431D+01  0.842617D+01  0.105602D+02 -0.960258D+01
      4   0.438724D+01 -0.280263D+01  0.104281D+02 -0.129207D+02  0.826107D+01
      5  -0.784525D+01  0.826534D+01 -0.124225D+02 -0.755656D+01 -0.193874D+01
      6   0.367879D+01 -0.484173D+01  0.128489D+02  0.309700D+01  0.271859D+01
                56            57            58            59            60 
      1  -0.501387D+01  0.218665D+01 -0.424888D+01 -0.534293D+01  0.407865D+01
      2   0.253671D+01 -0.138809D+01  0.171978D+00  0.474258D+01 -0.289340D+01
      3   0.247716D+01 -0.798556D+00  0.407690D+01  0.600352D+00 -0.118525D+01
      4  -0.115143D+02  0.299550D+01 -0.216870D+02 -0.634368D+01  0.622469D+01
      5   0.330465D+01 -0.990512D+01  0.398954D+01  0.782946D+01  0.148337D+02
      6  -0.751041D+00  0.684936D+01  0.264873D+01 -0.397236D+01 -0.123720D+02
                61            62            63            64            65 
      1  -0.456395D+01  0.575507D+01  0.238081D+01 -0.330192D+02 -0.117577D+02
      2  -0.629599D+00 -0.238283D-02 -0.141735D+01  0.102038D+02  0.858353D+01
      3   0.519355D+01 -0.575269D+01 -0.963457D+00  0.228154D+02  0.317416D+01
      4   0.910848D+01  0.646895D+00  0.220890D+02 -0.153370D+02  0.992061D+00
      5  -0.214502D+02  0.196981D+02  0.598410D+01 -0.109142D+02  0.150712D-01
      6   0.164544D+02 -0.149188D+02 -0.899702D+01 -0.409779D+01  0.169615D+00
                66            67            68            69            70 
      1  -0.113669D+02 -0.103704D+02  0.651846D+01  0.215484D+00 -0.204257D+02
      2   0.694045D+01  0.946788D+01  0.381175D+00 -0.658932D+01  0.861941D+01
      3   0.442642D+01  0.902563D+00 -0.689963D+01  0.637384D+01  0.118063D+02
      4  -0.318586D+01  0.450956D+01  0.144914D+02 -0.407982D+01 -0.587184D+01
      5   0.267618D+01  0.230511D+01 -0.686814D+01 -0.674854D+01 -0.141413D+01
      6   0.129336D+00 -0.164813D+01 -0.272912D+01 -0.304412D+01 -0.287304D+01
                71            72            73            74            75 
      1  -0.198944D+01  0.655807D+01  0.252711D+01  0.997415D+01  0.848944D+01
      2  -0.804064D+01  0.112625D+02  0.465375D+01 -0.365338D+01 -0.714334D+01
      3   0.100301D+02 -0.178206D+02 -0.718085D+01 -0.632077D+01 -0.134610D+01
      4   0.999922D+00 -0.107766D+02  0.392610D+01  0.182843D+01 -0.242950D+01
      5  -0.974967D+01  0.240661D+02  0.101462D+01 -0.444749D+01 -0.657501D+01
      6  -0.191346D+01  0.169713D+02 -0.274896D+01 -0.798621D+01 -0.661326D+01
                76            77            78            79            80 
      1   0.184904D+02  0.250684D+02 -0.780397D+01  0.130555D+02 -0.726839D+01
      2  -0.161409D+02 -0.371424D+02  0.135885D+02 -0.632771D+01  0.190583D+02
      3  -0.234949D+01  0.120740D+02 -0.578452D+01 -0.672778D+01 -0.117899D+02
      4  -0.240995D+01 -0.104219D+02  0.165999D+01 -0.578831D+01 -0.149698D+01
      5  -0.635206D+01  0.268497D+01 -0.259579D+01 -0.108512D+02 -0.814513D+01
      6  -0.335767D+01  0.126131D+02 -0.606964D+01 -0.150311D+02 -0.167166D+02
                81            82            83            84            85 
      1   0.115844D+02  0.388714D+02  0.202854D+02  0.222432D+01  0.160831D+02
      2  -0.634765D+01 -0.130776D+02 -0.341658D+01 -0.110380D+01  0.173203D+01
      3  -0.523677D+01 -0.257938D+02 -0.168689D+02 -0.112052D+01 -0.178151D+02
      4  -0.969996D+01  0.421087D+02  0.318906D+02  0.233356D+01  0.367027D+02
      5  -0.147267D+02  0.492332D+01  0.259414D+01  0.723300D+01  0.514709D+01
      6  -0.187399D+02  0.625714D+00  0.439785D+00  0.349178D+01  0.214363D+01
                86            87            88            89            90 
      1   0.106893D+02  0.151497D+01  0.289081D+00  0.356006D+00  0.107660D+01
      2   0.783269D+01 -0.554557D+00  0.941327D+00  0.933451D+00  0.350308D+00
      3  -0.185220D+02 -0.960408D+00 -0.123041D+01 -0.128946D+01 -0.142691D+01
      4   0.384433D+02  0.380306D+01  0.384637D+01  0.409079D+01  0.367514D+01
      5   0.458977D+01  0.555863D+01  0.310865D+01  0.236749D+01  0.823738D+00
      6   0.209223D+01  0.459010D+01  0.197767D+01  0.236020D+01  0.116414D+01
                91            92            93            94            95 
      1   0.909746D+02 -0.160746D+02 -0.938693D+01 -0.147475D+02  0.112219D+02
      2  -0.514017D+02  0.803907D+01  0.659718D+01  0.649373D+01 -0.465489D+01
      3  -0.395729D+02  0.803554D+01  0.278974D+01  0.825378D+01 -0.656704D+01
      4  -0.257368D+02  0.130006D+02  0.261425D+01  0.195377D+02 -0.943064D+01
      5  -0.145520D+02  0.246753D+01  0.117143D+02  0.527881D+01 -0.288789D+01
      6  -0.518242D-01 -0.655597D+00 -0.144858D+01 -0.165165D+01  0.701000D+00
                96            97            98            99           100 
      1   0.279853D+01 -0.112680D+02  0.341114D+01  0.467700D+01 -0.422801D+01
      2  -0.200686D+01  0.668266D+01 -0.196810D+01 -0.294964D+01  0.587125D+01
      3  -0.791669D+00  0.458532D+01 -0.144304D+01 -0.172736D+01 -0.164324D+01
      4  -0.272799D+01  0.586019D+01 -0.289536D+01 -0.242857D+01 -0.134843D+00
      5  -0.300813D+01  0.580591D+01 -0.143947D+01 -0.307617D+01  0.271610D-01
      6   0.193753D+01 -0.959552D+00  0.112070D+01  0.838161D+00  0.219218D+01
               101           102           103           104           105 
      1   0.748769D+01  0.249174D+01  0.399008D+01 -0.385726D+02 -0.897593D+01
      2  -0.761030D+01 -0.170572D+01 -0.413299D+01  0.525376D+02  0.881703D+01
      3   0.122611D+00 -0.786021D+00  0.142911D+00 -0.139651D+02  0.158899D+00
      4   0.724160D+01  0.119253D+01  0.560003D+01  0.113729D+02  0.294235D+01
      5   0.947878D+00  0.119715D+01  0.102999D+01  0.375309D+01  0.220745D+01
      6  -0.316978D+01 -0.189586D+01 -0.856158D+00  0.158037D+02  0.104028D+02
               106           107           108           109           110 
      1   0.112574D+01 -0.912952D+01 -0.432686D+01  0.194974D+01 -0.274315D+01
      2  -0.112228D+01  0.106319D+02  0.447130D+01  0.337637D+01 -0.330065D+01
      3  -0.346289D-02 -0.150240D+01 -0.144446D+00 -0.532611D+01  0.604380D+01
      4   0.123061D+01  0.202623D+01 -0.546323D+00 -0.125439D+02  0.166660D+02
      5   0.757317D+00  0.490508D+00  0.476071D-01 -0.295602D+01  0.374595D+01
      6  -0.423162D+00  0.660956D+01  0.438851D+01  0.258548D+01 -0.304388D+01
               111           112           113           114           115 
      1  -0.424818D+00  0.221372D+01 -0.234156D+02 -0.504759D+01  0.192189D+00
      2  -0.285030D+00 -0.927910D+01  0.419864D+02  0.584894D+01 -0.161589D+01
      3   0.709848D+00  0.706538D+01 -0.185707D+02 -0.801351D+00  0.142370D+01
      4   0.398271D+01  0.185049D+02 -0.416646D+02 -0.828759D+01  0.489672D+01
      5   0.334606D+01  0.363369D+01 -0.743149D+01 -0.570708D+01  0.177858D+01
      6  -0.215433D+01 -0.398473D+01  0.130140D+02  0.960336D+01 -0.190913D+01
               116           117           118           119           120 
      1  -0.410523D+01 -0.325049D+01  0.374364D+01 -0.192596D+01 -0.338761D+01
      2   0.686336D+01  0.388433D+01 -0.332798D+01  0.110021D+01  0.289069D+01
      3  -0.275813D+01 -0.633836D+00 -0.415659D+00  0.825749D+00  0.496926D+00
      4  -0.976134D+01 -0.325852D+01 -0.802820D+01  0.912255D+01  0.456350D+01
      5  -0.281049D+01 -0.206911D+01 -0.853686D+01  0.397858D+01  0.108740D+02
      6   0.612394D+01  0.411187D+01  0.576754D+01 -0.267796D+01 -0.419216D+01
               121           122           123           124           125 
      1   0.568578D+00 -0.586386D+01 -0.580775D+01 -0.631053D+00 -0.569272D+01
      2  -0.841358D+00  0.569768D+01  0.288112D+01  0.382641D+01  0.354804D+00
      3   0.272780D+00  0.166183D+00  0.292663D+01 -0.319535D+01  0.533792D+01
      4   0.133205D+02 -0.140621D+02 -0.974998D+01  0.755152D+01 -0.995993D+01
      5   0.582177D+01 -0.988684D+01 -0.119063D+02  0.155456D+02 -0.123636D+02
      6  -0.569145D+01  0.127878D+02  0.144333D+02 -0.911620D+01  0.141505D+02
               126           127           128           129           130 
      1  -0.964896D+01 -0.526751D+02  0.214543D+02 -0.405913D+01  0.121142D+02
      2  -0.576070D+01  0.205599D+02 -0.185016D+02  0.333261D+00 -0.100069D+02
      3   0.154097D+02  0.321152D+02 -0.295267D+01  0.372587D+01 -0.210731D+01
      4  -0.127862D+02  0.273923D+02  0.599684D+01 -0.446457D+01  0.114576D+02
      5  -0.228871D+02 -0.570431D+01 -0.124309D+01  0.999587D+01 -0.485657D+01
      6   0.197052D+02 -0.200764D+01  0.749488D+01 -0.529344D+01  0.644429D+01
               131           132           133           134           135 
      1   0.231098D+02 -0.136654D+01  0.302784D+01 -0.269530D+01  0.820017D+01
      2  -0.246360D+02  0.149500D+02 -0.299498D+01  0.121260D+02  0.786558D+01
      3   0.152621D+01 -0.135835D+02 -0.328562D-01 -0.943069D+01 -0.160658D+02
      4   0.552345D+01 -0.426938D+01 -0.140658D+02  0.473059D+00 -0.216855D+02
      5  -0.456711D+00 -0.143615D+02  0.173131D+02 -0.179513D+02 -0.336830D+01
      6   0.905289D+01  0.451452D+01 -0.116626D+02  0.707117D+01 -0.409777D+01
               136           137           138           139           140 
      1   0.446961D+01  0.370297D+01 -0.464552D+01  0.152522D+01 -0.515264D+01
      2  -0.487048D+01 -0.255523D+01  0.284960D+01 -0.139812D+01  0.104838D+01
      3   0.400869D+00 -0.114774D+01  0.179592D+01 -0.127100D+00  0.410426D+01
      4   0.442353D+01  0.157847D+01 -0.329025D+01  0.418216D+01  0.387086D+01
      5  -0.580761D+01 -0.264271D+01  0.695198D+01 -0.342418D+01 -0.582316D+01
      6  -0.310159D+01 -0.452770D+00  0.212255D+00 -0.239793D+01 -0.638697D+01
               141           142           143           144           145 
      1   0.352474D+01 -0.298190D+01  0.451841D+01 -0.136753D+02  0.665198D+02
      2  -0.256691D+00  0.763493D+01  0.192596D+01 -0.196512D+02 -0.321909D+02
      3  -0.326805D+01 -0.465303D+01 -0.644438D+01  0.333266D+02 -0.343289D+02
      4  -0.676407D+01 -0.589564D+01 -0.910228D+01  0.119693D+02  0.260754D+02
      5   0.694116D+01  0.154546D+02  0.108167D+02 -0.377364D+02  0.205224D+01
      6   0.107829D+02  0.617495D+01  0.103946D+02 -0.221907D+02  0.948240D+00
               146           147           148           149           150 
      1   0.991904D+01  0.615114D+01  0.580078D+01  0.668742D+01  0.209602D+00
      2  -0.294686D+01 -0.224498D+01 -0.108038D+00 -0.849628D+00  0.123061D+01
      3  -0.697218D+01 -0.390616D+01 -0.569274D+01 -0.583779D+01 -0.144021D+01
      4   0.140787D+02  0.154692D+01  0.133878D+02  0.569919D+01  0.219808D+01
      5  -0.373973D+00  0.875057D+01 -0.590915D-02  0.182045D+01  0.159751D+01
      6  -0.185582D+00  0.237706D+01 -0.329268D+00  0.898185D+00  0.203801D+01
               151           152           153           154           155 
      1   0.147830D+02  0.196826D+01  0.656319D+01 -0.118677D+01  0.503532D+01
      2  -0.682066D+01  0.112620D+01 -0.538665D+01  0.430722D+01 -0.548166D+01
      3  -0.796234D+01 -0.309445D+01 -0.117654D+01 -0.312045D+01  0.446342D+00
      4   0.629856D+01  0.458894D+01  0.458256D+01  0.141502D+01  0.831205D+01
      5   0.110212D+02  0.301648D+01  0.233399D+01 -0.736225D+00 -0.712946D+00
      6   0.299541D+01  0.196358D+01 -0.244265D+00 -0.302762D+01  0.129328D+01
               156           157           158           159           160 
      1  -0.229136D+01 -0.385209D+01 -0.400088D+02  0.765117D+01 -0.117349D+01
      2   0.173015D+01  0.734998D+01  0.645688D+02 -0.117014D+02 -0.115743D+01
      3   0.561206D+00 -0.349789D+01 -0.245600D+02  0.405019D+01  0.233092D+01
      4  -0.194114D+01  0.969733D+01  0.181634D+02 -0.301995D+01 -0.341278D+01
      5   0.274913D+01 -0.121421D+01 -0.264898D+01  0.255604D+01  0.361555D+01
      6  -0.638592D-01 -0.203727D+01 -0.158795D+02  0.104640D+02  0.418367D+01
               161           162           163           164           165 
      1   0.127239D+02 -0.896530D+01  0.205346D+01 -0.104527D+01  0.463403D-01
      2  -0.188981D+02  0.953814D+01 -0.370330D+01  0.119853D+01 -0.269758D-01
      3   0.617417D+01 -0.572845D+00  0.164984D+01 -0.153261D+00 -0.193645D-01
      4  -0.539964D+01  0.411088D+01  0.678971D+01  0.649198D+01  0.637799D+01
      5   0.416906D+01 -0.443685D+00  0.713936D+01  0.465374D+01  0.980079D+01
      6   0.158636D+02 -0.686770D+01  0.688493D+01  0.445341D+01  0.637766D+01
               166           167           168           169           170 
      1  -0.450089D+01 -0.109883D+02 -0.516743D+01 -0.405425D+01 -0.106573D+02
      2   0.578582D+01  0.125544D+02  0.455377D+01 -0.239670D-01  0.625731D+01
      3  -0.128493D+01 -0.156615D+01  0.613658D+00  0.407822D+01  0.440003D+01
      4   0.526606D+01  0.757598D+01  0.546281D+01  0.114133D+02  0.101738D+02
      5   0.263818D+01  0.541136D+01  0.401595D+01  0.131326D+02  0.110080D+02
      6   0.456549D+01  0.803688D+01  0.974070D+01  0.128121D+02  0.191996D+02
               171           172           173           174           175 
      1  -0.172419D+02  0.339707D+01 -0.721834D+00  0.584746D+01  0.300986D+01
      2   0.563545D+00 -0.430468D+01  0.172749D+01 -0.574827D+00 -0.192283D+01
      3   0.166783D+02  0.907606D+00 -0.100566D+01 -0.527264D+01 -0.108703D+01
      4   0.109693D+02 -0.304713D+00 -0.169295D+01 -0.799192D+00 -0.201922D+01
      5   0.208267D+02  0.277976D+01  0.127699D+01  0.848777D+00  0.448157D+01
      6   0.302055D+02  0.181320D+00 -0.164980D+01  0.191007D+01 -0.997350D+00
               176           177           178           179           180 
      1  -0.520195D+01 -0.271234D+01  0.464191D+01 -0.156582D+01 -0.136759D+02
      2  -0.401909D+00 -0.888029D+01 -0.338484D+01 -0.676521D+01 -0.178430D+02
      3   0.560386D+01  0.115926D+02 -0.125707D+01  0.833103D+01  0.315188D+02
      4   0.682058D+01  0.554134D+01 -0.134234D+01  0.685753D+01  0.763282D+01
      5   0.393421D+01  0.111602D+02  0.639841D+01  0.475185D+01  0.235042D+02
      6   0.216333D+01  0.107612D+01 -0.423463D+00  0.364574D+01 -0.539062D+01
               181           182           183           184           185 
      1   0.780577D+02 -0.137743D+02  0.162650D+01 -0.505368D+01  0.486381D+01
      2  -0.356776D+02  0.303443D+01 -0.281672D+01 -0.142615D+01  0.162814D+01
      3  -0.423801D+02  0.107398D+02  0.119022D+01  0.647983D+01 -0.649195D+01
      4  -0.420750D+02  0.190794D+02 -0.274833D+01  0.149020D+02 -0.989801D+01
      5   0.180182D+02 -0.457372D+01  0.111599D+02 -0.942571D+00  0.175945D+01
      6  -0.295260D+01  0.271086D+01 -0.460051D+01  0.130822D+01 -0.200648D+01
               186           187           188           189           190 
      1   0.211232D+00 -0.511038D+01  0.760381D+00  0.614104D+01 -0.133458D+01
      2  -0.128495D+01  0.258604D+00 -0.194914D+00 -0.492073D+01  0.473646D+01
      3   0.107371D+01  0.485177D+01 -0.565468D+00 -0.122030D+01 -0.340188D+01
      4   0.875306D+00  0.368640D+01 -0.191419D+01 -0.212332D+01 -0.162618D+01
      5   0.153617D+00  0.950817D+01 -0.682985D+00  0.734057D+00 -0.897815D+00
      6   0.131081D+01 -0.344820D+01  0.129594D+01  0.599643D+00 -0.175792D+01
               191           192           193           194           195 
      1  -0.126761D+02  0.399360D+01 -0.818197D+01 -0.306825D+02  0.775824D+01
      2   0.133566D+02 -0.214334D+01  0.560164D+01  0.443291D+02 -0.786533D+01
      3  -0.680534D+00 -0.185026D+01  0.258032D+01 -0.136466D+02  0.107090D+00
      4  -0.794096D+00  0.100131D+01  0.610187D+01 -0.249611D+02  0.640197D+01
      5  -0.707528D+00 -0.187109D+01 -0.327270D+01  0.401189D+01 -0.378347D+01
      6  -0.568980D+01  0.439604D+01 -0.826089D+00 -0.189593D+02  0.108615D+02
               196           197           198 
      1   0.445197D+00  0.635003D+01 -0.792182D+01
      2   0.751086D-01 -0.503223D+01  0.466883D+01
      3  -0.520306D+00 -0.131779D+01  0.325299D+01
      4   0.859266D+00  0.337256D+01 -0.161882D+01
      5   0.148089D+00 -0.248054D+01  0.249986D+01
      6   0.186758D+01  0.985984D+01 -0.539844D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.228258D+00      0.580174D+00      0.193525D+01
   y          0.459183D-01      0.116713D+00      0.389312D+00
   z         -0.127765D-01     -0.324747D-01     -0.108324D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.137577D+03      0.203868D+02      0.226833D+02
   yx         0.142876D+01      0.211720D+00      0.235570D+00
   yy         0.117520D+03      0.174147D+02      0.193764D+02
   zx        -0.229571D+01     -0.340189D+00     -0.378512D+00
   zy         0.520228D+01      0.770898D+00      0.857740D+00
   zz         0.775956D+02      0.114985D+02      0.127938D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115924D+03      0.171782D+02      0.191133D+02
   aniso      0.547917D+02      0.811929D+01      0.903393D+01
   xx         0.143333D+03      0.212398D+02      0.236325D+02
   yx         0.157174D+01      0.232908D+00      0.259145D+00
   yy         0.122258D+03      0.181168D+02      0.201577D+02
   zx        -0.240880D+01     -0.356947D+00     -0.397157D+00
   zy         0.523865D+01      0.776288D+00      0.863737D+00
   zz         0.821809D+02      0.121779D+02      0.135498D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.69428482         -0.93176003         -4.61669748
     6         -0.38397713          1.46501030         -4.73108323
     6          1.20186395         -2.05098395         -2.28967646
     6          0.63306044         -0.74419689         -0.08913120
     6         -0.44627950          1.65877247         -0.20412285
     6         -0.96412160          2.77134603         -2.52130509
     6          0.94046084         -1.59816551          2.62169109
     6          0.70705085          0.91829068          4.10019644
     6         -0.91515494          2.66912889          2.42024556
     1          1.14767162         -1.92552912         -6.34643646
     1         -0.76370092          2.32188632         -6.54954512
     1          2.04372014         -3.91608937         -2.20669257
     1         -1.79666858          4.63957027         -2.61871280
     1          2.79417138         -2.45652136          2.92630418
     6         -1.09305642         -3.52456920          3.36336559
     1          2.58142434          1.74927020          4.32925302
     1         -0.08796024          0.64985813          5.98238464
     1         -0.40266212          4.65629631          2.62052585
     1         -2.92297333          2.52044927          2.89735470
     1         -2.98113451         -2.72227648          3.13378915
     1         -0.87388623         -4.10473850          5.33168010
     1         -0.98278719         -5.20940403          2.17920099

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.233181D+00      0.592687D+00      0.197699D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.812907D+02      0.120460D+02      0.134030D+02
   yx        -0.127382D+02     -0.188761D+01     -0.210025D+01
   yy         0.114098D+03      0.169076D+02      0.188122D+02
   zx        -0.144736D+01     -0.214477D+00     -0.238638D+00
   zy        -0.320912D+01     -0.475542D+00     -0.529112D+00
   zz         0.137304D+03      0.203463D+02      0.226383D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115924D+03      0.171782D+02      0.191133D+02
   aniso      0.547917D+02      0.811929D+01      0.903393D+01
   xx         0.858948D+02      0.127283D+02      0.141621D+02
   yx        -0.128164D+02     -0.189919D+01     -0.211313D+01
   yy         0.118794D+03      0.176034D+02      0.195865D+02
   zx        -0.139655D+01     -0.206948D+00     -0.230260D+00
   zy        -0.326835D+01     -0.484320D+00     -0.538879D+00
   zz         0.143084D+03      0.212028D+02      0.235913D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-09\Freq\RM11\Gen\C10H12\PIERPA\23-Jul-2021\0\\#P M11/
 Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Rea
 d Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-2.295974,-1.028853
 ,-0.128687\C,-2.606029,0.291875,0.183416\C,-0.973478,-1.40911,-0.34245
 7\C,0.029531,-0.455263,-0.247794\C,-0.281499,0.868664,0.064239\C,-1.59
 8106,1.247679,0.283733\C,1.52367,-0.639314,-0.39664\C,2.019669,0.81696
 4,-0.580832\C,0.972315,1.705463,0.12574\H,-3.088043,-1.762337,-0.20983
 3\H,-3.637708,0.578196,0.343549\H,-0.735344,-2.437795,-0.586593\H,-1.8
 44116,2.275439,0.52314\H,1.76059,-1.24321,-1.276257\C,2.130571,-1.3201
 58,0.83597\H,2.034988,1.060247,-1.645001\H,3.029412,0.962676,-0.195614
 \H,0.857874,2.679448,-0.352616\H,1.250132,1.896413,1.167459\H,1.938821
 ,-0.733184,1.737056\H,3.211182,-1.433117,0.725825\H,1.698191,-2.310454
 ,0.988755\\Version=ES64L-G16RevA.03\State=1-A\HF=-388.4836191\RMSD=4.8
 86e-09\RMSF=5.248e-06\ZeroPoint=0.1921718\Thermal=0.2004692\Dipole=0.2
 282579,0.0459183,-0.0127765\DipoleDeriv=-0.0311354,0.0369779,-0.002779
 6,0.1002657,0.011351,0.0271671,0.0049391,0.0276339,-0.1422782,0.020420
 5,-0.0143791,-0.0280038,-0.0831313,-0.0461065,0.028946,-0.037123,0.023
 5127,-0.141863,-0.0572241,0.0097003,-0.0162836,-0.0040739,0.10699,0.05
 79652,-0.0181179,0.0536212,-0.1009364,0.1601963,-0.0565253,0.0042734,-
 0.2212679,-0.1499346,0.0073362,-0.0312718,-0.0060912,-0.1043181,0.0256
 414,0.1429938,0.0070807,0.2649573,0.0170143,-0.0001154,0.1046268,0.044
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 00000131\\\@


 THE ONLY EXISTING THINGS ARE ATOMS AND EMPTY SPACE;
 ALL ELSE IS MERE OPINION. -- DEMOCRITUS OF ABDERA D. 370 B.C.
 EXPERIMENTS ARE THE ONLY MEANS OF KNOWLEDGE AT OUR DISPOSAL
 THE REST IS POETRY, IMAGINATION. -- MAX PLANCK
 Job cpu time:       0 days  3 hours 49 minutes  6.8 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 22.7 seconds.
 File lengths (MBytes):  RWF=    256 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 16:13:50 2021.
